UCSF

ZINC17062665

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 19 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) 3.74 7.88 -7.79 2 2 0 39 246.313 2
Mid Mid (pH 6-8) 3.74 8.2 -28.62 3 2 1 40 247.321 2

Activity (Go SEA)

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