UCSF

ZINC00588818

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 30 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) 5.23 -2.99 -14.44 2 6 0 75 428.546 6
Lo Low (pH 4.5-6) 5.23 -2.78 -82.69 4 6 2 78 430.562 6
Lo Low (pH 4.5-6) 5.23 -2.88 -47.18 3 6 1 76 429.554 6

Activity (Go SEA)

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