UCSF

ZINC41681644

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 15 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) 1.58 5.5 -82.36 3 3 2 24 217.401 10
Mid Mid (pH 6-8) 1.58 5.15 -91.74 3 3 2 24 217.401 10
Mid Mid (pH 6-8) 1.58 7.61 -177.59 4 3 3 25 218.409 10

Activity (Go SEA)

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