UCSF

ZINC38606891

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 24 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) 2.70 10.31 -30.18 2 4 1 43 326.395 3
Mid Mid (pH 6-8) 2.70 9.83 -12.87 1 4 0 41 325.387 3

Activity (Go SEA)

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