UCSF

ZINC34717562

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 15 Yes

Other Names:

MFCD09945033

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) 1.60 4.14 -35.57 2 3 1 29 213.345 2
Lo Low (pH 4.5-6) 1.60 5.65 -115.32 3 3 2 30 214.353 2

Activity (Go SEA)

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