UCSF

ZINC13992614

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 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) 3.24 7.02 -35.86 2 3 1 33 290.475 5
Mid Mid (pH 6-8) 3.24 6.99 -81.07 3 3 2 34 291.483 5
Lo Low (pH 4.5-6) 3.24 8.72 -187.96 4 3 3 35 292.491 5
Lo Low (pH 4.5-6) 3.24 9.06 -98.12 3 3 2 34 291.483 5

Activity (Go SEA)

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