UCSF

ZINC39375875

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 9 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) 0.72 3.68 -32.51 1 2 1 14 130.211 1
Hi High (pH 8-9.5) 0.72 1.29 -2.05 0 2 0 12 129.203 1

Activity (Go SEA)

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