UCSF

ZINC51355115

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2010 17 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) -0.38 0.64 -46.04 6 5 1 96 235.311 5
Mid Mid (pH 6-8) -0.38 0.97 -88.36 7 5 2 97 236.319 5

Activity (Go SEA)

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