UCSF

ZINC21784212

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 24 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) 3.06 7.87 -12.42 2 5 0 75 339.42 3
Mid Mid (pH 6-8) 3.52 6.75 -42.64 1 5 -1 78 338.412 3

Activity (Go SEA)

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