UCSF

ZINC22462526

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 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) 1.17 4.06 -41.1 2 5 1 46 256.37 3
Mid Mid (pH 6-8) 1.17 1.87 -5.79 1 5 0 45 255.362 3
Mid Mid (pH 6-8) 1.17 3.31 -46.31 2 5 1 49 256.37 3

Activity (Go SEA)

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