UCSF

ZINC36769721

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.50 3.9 -47.09 3 3 1 40 249.378 4
Hi High (pH 8-9.5) 0.50 3.58 -3.24 2 3 0 38 248.37 4
Lo Low (pH 4.5-6) 0.50 5.79 -117.62 4 3 2 41 250.386 4

Activity (Go SEA)

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