UCSF

ZINC43977313

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 2.89 7.92 -29.45 2 3 1 26 277.432 9
Mid Mid (pH 6-8) 2.89 8.29 -108.11 3 3 2 30 278.44 9

Activity (Go SEA)

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