UCSF

ZINC02497243

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 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) 2.77 9.85 -35 1 3 1 28 231.319 5
Mid Mid (pH 6-8) 2.77 9.34 -9.75 0 3 0 27 230.311 5

Activity (Go SEA)

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