UCSF

ZINC06483558

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 20 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) 2.32 0.26 -11.42 3 6 0 100 274.228 1
Hi High (pH 8-9.5) 2.32 1 -57.56 2 6 -1 103 273.22 1
Hi High (pH 8-9.5) 2.32 1.06 -45.51 2 6 -1 103 273.22 1
Hi High (pH 8-9.5) 2.32 1.8 -106.06 1 6 -2 106 272.212 1

Activity (Go SEA)

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