UCSF

ZINC19480114

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 17 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) 0.70 3.34 -94.78 5 4 2 61 243.395 6
Hi High (pH 8-9.5) 0.70 3.06 -39.18 4 4 1 60 242.387 6
Hi High (pH 8-9.5) 0.70 0.97 -46.1 4 4 1 60 242.387 6

Activity (Go SEA)

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