UCSF

ZINC43966614

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) 3.67 8.55 -104.36 3 3 2 30 272.477 9
Mid Mid (pH 6-8) 3.67 7.7 -29.84 2 3 1 26 271.469 9

Activity (Go SEA)

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