UCSF

ZINC45694231

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 No

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) 0.39 6.71 -31.63 4 5 1 70 250.37 7
Hi High (pH 8-9.5) 0.39 4.22 -5.99 3 5 0 69 249.362 7
Lo Low (pH 4.5-6) 0.39 5.33 -87.65 5 5 2 72 251.378 7

Activity (Go SEA)

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