UCSF

ZINC44677464

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 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) 1.64 5.77 -41.02 3 2 1 31 231.363 2
Mid Mid (pH 6-8) 1.64 7.05 -28.25 3 2 1 30 231.363 2
Lo Low (pH 4.5-6) 1.64 7.37 -104.61 4 2 2 32 232.371 2

Activity (Go SEA)

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