UCSF

ZINC26987381

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 16 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) 3.03 6.71 -33.12 1 2 1 14 222.352 0
Mid Mid (pH 6-8) 3.03 5.17 -1.51 0 2 0 12 221.344 0

Activity (Go SEA)

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