UCSF

ZINC37083675

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.49 7.77 -33.31 1 4 0 58 234.299 3
Mid Mid (pH 6-8) 2.49 7.31 -46.15 0 4 -1 56 233.291 3

Activity (Go SEA)

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