UCSF

ZINC42747221

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 3.89 7.41 -118.79 4 2 2 32 256.478 5
Hi High (pH 8-9.5) 3.89 7.67 -27.48 3 2 1 30 255.47 5
Hi High (pH 8-9.5) 3.89 6.18 -40.44 3 2 1 31 255.47 5

Activity (Go SEA)

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