UCSF

ZINC40877864

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 16 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) 1.42 5.23 -28.49 2 3 1 38 235.332 4
Mid Mid (pH 6-8) 1.42 4.76 -6.68 1 3 0 36 234.324 4

Activity (Go SEA)

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