UCSF

ZINC37389681

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) 0.37 1.62 -45.7 3 5 1 58 256.37 8
Hi High (pH 8-9.5) 0.37 0.27 -8.75 2 5 0 54 255.362 8
Lo Low (pH 4.5-6) 0.37 2.54 -40.59 3 5 1 55 256.37 8
Lo Low (pH 4.5-6) 0.37 3.89 -110.34 4 5 2 59 257.378 8

Activity (Go SEA)

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