UCSF

ZINC13298653

Substance Information

In ZINC since Heavy atoms Benign functionality
June 16th, 2008 32 No

CAS Number: 362-74-3

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) 1.05 8.34 -52.52 1 13 -1 167 468.383 8

Vendor Notes

Note Type Comments Provided By
Therapy vasodilator SMDC Pharmakon

Activity (Go SEA)

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

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