UCSF

ZINC13560599

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 21 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) -0.86 -2.9 -14.67 5 9 0 140 295.299 3
Lo Low (pH 4.5-6) -0.86 -2.64 -32.05 6 9 1 141 296.307 3
Lo Low (pH 4.5-6) -0.86 -7.06 -31.82 6 9 1 141 296.307 3

Activity (Go SEA)

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