UCSF

ZINC42251384

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 20 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) 3.77 5.99 -3.68 0 3 0 22 340.261 3
Lo Low (pH 4.5-6) 3.77 8.22 -31.41 1 3 1 23 341.269 3

Activity (Go SEA)

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