UCSF

ZINC45664331

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 2.45 5.79 -102.7 4 3 2 41 258.793 7
Hi High (pH 8-9.5) 2.45 6.57 -108.39 3 3 1 44 257.785 7

Activity (Go SEA)

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