UCSF

ZINC35015347

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 2.82 9.11 -104.97 3 2 2 21 236.403 5
Mid Mid (pH 6-8) 2.82 6.89 -38.58 2 2 1 20 235.395 5

Activity (Go SEA)

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