UCSF

ZINC43970202

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 2.82 8.18 -31.39 2 3 1 26 265.421 9
Mid Mid (pH 6-8) 2.82 8.04 -108.54 3 3 2 30 266.429 9

Activity (Go SEA)

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