UCSF

ZINC45694999

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 Yes

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) 1.81 9.85 -65.31 1 5 0 65 294.395 7
Lo Low (pH 4.5-6) 1.81 7.96 -59.36 2 5 1 62 295.403 7

Activity (Go SEA)

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