UCSF

ZINC42380908

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 23 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) 1.54 5.51 -11.83 0 6 0 51 316.405 6
Mid Mid (pH 6-8) 1.54 7.78 -42.72 1 6 1 52 317.413 6
Mid Mid (pH 6-8) 1.54 6.13 -29.99 1 6 1 52 317.413 6

Activity (Go SEA)

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