UCSF

ZINC23249172

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 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) 1.37 3.99 -37.31 3 5 1 64 318.372 5
Mid Mid (pH 6-8) 1.37 3.94 -45.51 3 5 1 64 318.372 5
Mid Mid (pH 6-8) 1.37 1.66 -11.79 2 5 0 63 317.364 5

Activity (Go SEA)

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