UCSF

ZINC45699616

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 2.46 7.11 -35.91 1 4 1 34 279.404 9
Hi High (pH 8-9.5) 2.46 6.65 -40.23 1 4 1 34 279.404 9
Hi High (pH 8-9.5) 2.46 4.63 -7.76 0 4 0 33 278.396 9
Lo Low (pH 4.5-6) 2.46 9.12 -110.08 2 4 2 35 280.412 9

Activity (Go SEA)

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