UCSF

ZINC69869916

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 23 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) 0.73 0.54 -27.47 2 7 0 95 338.433 7
Mid Mid (pH 6-8) 1.18 0.11 -52.55 2 7 0 99 338.433 7
Mid Mid (pH 6-8) 0.73 2.9 -59.15 3 7 1 96 339.441 7

Activity (Go SEA)

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