UCSF

ZINC20246314

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.87 6.28 -36.95 2 3 1 29 244.362 6
Mid Mid (pH 6-8) 1.87 5.19 -42.78 2 3 1 33 244.362 6
Lo Low (pH 4.5-6) 1.87 6.67 -75.08 3 3 2 31 245.37 6

Activity (Go SEA)

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