UCSF

ZINC05496762

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 16 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) 1.46 1.02 -23.54 4 6 0 99 232.28 9
Hi High (pH 8-9.5) 1.46 2.23 -64.08 3 6 -1 101 231.272 9
Hi High (pH 8-9.5) 1.46 3.45 -111.82 2 6 -2 104 230.264 9

Activity (Go SEA)

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