UCSF

ZINC37873243

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 13 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) 0.88 3.12 -98.59 4 3 2 41 188.315 5
Mid Mid (pH 6-8) 0.88 3.67 -40.57 3 3 1 44 187.307 5

Activity (Go SEA)

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