UCSF

ZINC13116339

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 25 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) 3.96 7.2 -15.97 0 4 0 64 334.467 2
Lo Low (pH 4.5-6) 3.96 7.47 -32.47 1 4 1 65 335.475 2
Lo Low (pH 4.5-6) 3.96 9.57 -117.11 2 4 2 66 336.483 2

Activity (Go SEA)

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