UCSF

ZINC52100872

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 16 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) 0.39 1.95 -11.83 1 4 0 45 237.328 5
Mid Mid (pH 6-8) 0.39 4.21 -45.02 2 4 1 46 238.336 5

Activity (Go SEA)

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