UCSF

ZINC37080892

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) 0.52 3.11 -94.94 4 3 2 41 188.315 6
Mid Mid (pH 6-8) 0.52 3.66 -37.69 3 3 1 44 187.307 6

Activity (Go SEA)

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