UCSF

ZINC37870914

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) 1.19 2.94 -35.13 4 4 1 69 235.307 6
Mid Mid (pH 6-8) 1.19 1.96 -6.55 3 4 0 64 234.299 6

Activity (Go SEA)

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