UCSF

ZINC37505047

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 11 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) 0.24 2.45 -44.28 3 3 1 48 159.253 4
Hi High (pH 8-9.5) 0.24 2.05 -8.15 2 3 0 46 158.245 4

Activity (Go SEA)

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