UCSF

ZINC33677091

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 34 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) 0.91 7.61 -14.81 0 10 0 105 475.59 11
Mid Mid (pH 6-8) 0.91 10.01 -48.01 1 10 1 106 476.598 11

Activity (Go SEA)

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