UCSF

ZINC35011176

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) 2.91 6.82 -34.3 2 2 1 20 235.395 4
Mid Mid (pH 6-8) 2.91 9.06 -102.31 3 2 2 21 236.403 4

Activity (Go SEA)

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