UCSF

ZINC12663599

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 26 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) -0.20 4.58 -25.62 3 9 0 122 354.37 7
Mid Mid (pH 6-8) -0.20 5.1 -53.9 4 9 1 123 355.378 7

Activity (Go SEA)

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