UCSF

ZINC39412512

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 26 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) 4.34 10.77 -111.84 2 4 2 27 360.542 5
Hi High (pH 8-9.5) 4.34 8.87 -34.37 1 4 1 26 359.534 5
Hi High (pH 8-9.5) 4.34 8.8 -4.18 0 4 0 25 358.526 5

Activity (Go SEA)

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