UCSF

ZINC19384541

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 20 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) -1.54 2.85 -61.46 3 7 -1 118 274.256 5
Mid Mid (pH 6-8) -1.54 3.37 -71.12 4 7 0 119 275.264 5
Mid Mid (pH 6-8) -1.54 3.62 -60.79 3 7 -1 118 274.256 5

Activity (Go SEA)

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