UCSF

ZINC23247768

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 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) 2.25 9.08 -28.46 1 3 1 21 262.421 7
Mid Mid (pH 6-8) 2.25 7.41 -29.34 1 3 1 21 262.421 7
Mid Mid (pH 6-8) 2.25 7.44 -81.55 2 3 2 22 263.429 7
Lo Low (pH 4.5-6) 2.25 9.7 -100.09 2 3 2 22 263.429 7

Activity (Go SEA)

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