UCSF

ZINC09529138

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 19 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) 3.13 -0.98 -10.1 1 3 0 38 280.368 6
Mid Mid (pH 6-8) 3.13 -0.73 -30.43 2 3 1 39 281.376 6

Activity (Go SEA)

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