UCSF

ZINC44114389

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 1.75 4.78 -33.51 2 3 1 28 249.378 4
Mid Mid (pH 6-8) 1.75 2.5 -3.54 1 3 0 27 248.37 4
Lo Low (pH 4.5-6) 1.75 4.75 -33.36 2 3 1 28 249.378 4

Activity (Go SEA)

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