UCSF

ZINC09708619

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 21 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) 1.05 -0.51 -12.09 0 8 0 83 292.295 4
Mid Mid (pH 6-8) 1.05 0.39 -34.42 1 8 1 84 293.303 4

Activity (Go SEA)

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