UCSF

ZINC21957511

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 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) 1.87 2.03 -12.97 3 4 0 72 266.297 3
Mid Mid (pH 6-8) 1.87 2.1 -48.77 2 4 -1 74 265.289 3

Activity (Go SEA)

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