UCSF

ZINC37863397

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 17 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) 3.15 8.39 -49.98 2 1 1 17 234.269 4
Mid Mid (pH 6-8) 3.15 7.03 -3.61 1 1 0 12 233.261 4

Activity (Go SEA)

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