UCSF

ZINC33679568

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 32 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) 4.27 12.63 -12.28 0 6 0 59 430.552 5
Mid Mid (pH 6-8) 4.27 12.94 -38.84 1 6 1 60 431.56 5

Activity (Go SEA)

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