UCSF

ZINC36326764

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 14 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) 0.88 0.31 -1.96 1 3 0 24 198.31 2
Lo Low (pH 4.5-6) 0.88 2.44 -30.24 2 3 1 26 199.318 2
Lo Low (pH 4.5-6) 0.88 3.77 -104.96 3 3 2 30 200.326 2

Activity (Go SEA)

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