UCSF

ZINC22934159

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 19 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) 2.02 5.08 -41.26 2 4 1 46 261.345 6
Mid Mid (pH 6-8) 2.02 3.78 -6.61 1 4 0 42 260.337 6
Mid Mid (pH 6-8) 2.02 7.54 -114.71 3 4 2 47 262.353 6

Activity (Go SEA)

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