UCSF

ZINC45647238

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 1.46 4.89 -40.13 3 4 1 49 292.447 4
Mid Mid (pH 6-8) 1.46 7.07 -102.76 4 4 2 50 293.455 4

Activity (Go SEA)

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