UCSF

ZINC19632637

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 32 Yes

CAS Numbers: 139755-95-6 , 171599-83-0

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.90 1.94 -62.19 1 10 -1 127 459.552 7
Ref Reference (pH 7) 2.90 1.51 -53.36 1 10 -1 127 459.552 7
Mid Mid (pH 6-8) 2.44 3.58 -18.73 2 10 0 124 460.56 7
Mid Mid (pH 6-8) 2.44 3.14 -14.38 2 10 0 124 460.56 7
Lo Low (pH 4.5-6) 2.44 5.93 -55.46 3 10 1 125 461.568 7
Lo Low (pH 4.5-6) 2.44 5.51 -54.1 3 10 1 125 461.568 7

Vendor Notes

Note Type Comments Provided By
mechanism Selective inhibitor of cyclic GMP specific phosphodiesterase (Type V) IBScreen Bioactives
biological_use Used to treat male erectile dysfunction (impotence) and pulmonary arterial hypertension (PAH) IBScreen Bioactives
mechanism Vasodilator IBScreen Bioactives IBScreen Bioactives

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.