UCSF

ZINC37872123

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 0.76 0.75 -7.08 2 4 0 51 235.283 6
Mid Mid (pH 6-8) 0.76 2.11 -39.5 3 4 1 55 236.291 6

Activity (Go SEA)

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