UCSF

ZINC15973889

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 30 No

CAS Numbers: 87333-19-5 , [87333-19-5]

Other Names:

MFCD00865775

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) 2.40 12.23 -70.7 2 7 0 103 416.518 10
Mid Mid (pH 6-8) 2.40 11.74 -65.85 1 7 -1 99 415.51 10

Vendor Notes

Note Type Comments Provided By
Indications antihypertensive KeyOrganics Bioactives

Activity (Go SEA)

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