UCSF

ZINC42453159

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.56 5.96 -76.13 5 5 2 82 251.378 6
Mid Mid (pH 6-8) 1.56 5.49 -36.9 4 5 1 81 250.37 6

Activity (Go SEA)

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