UCSF

ZINC44658566

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 14 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) 0.87 4.69 -42.54 2 4 1 52 204.29 9
Mid Mid (pH 6-8) 0.87 3.36 -5.92 1 4 0 48 203.282 9

Activity (Go SEA)

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