UCSF

ZINC09447816

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 22 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) 3.20 5.92 -7.35 1 4 0 55 292.338 4
Mid Mid (pH 6-8) 3.27 4.73 -34.17 2 4 1 60 293.346 4

Activity (Go SEA)

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