UCSF

ZINC09243059

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 29 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) 4.22 6.15 -15.2 3 6 0 89 476.758 5
Ref Reference (pH 7) 4.22 5.5 -12.89 3 6 0 89 476.758 5
Hi High (pH 8-9.5) 4.20 6.29 -40.48 1 6 -1 88 475.75 5
Hi High (pH 8-9.5) 4.20 5.83 -49.91 1 6 -1 88 475.75 5
Hi High (pH 8-9.5) 4.22 6.34 -36.48 2 6 -1 92 475.75 5
Mid Mid (pH 6-8) 4.22 6.28 -49.39 2 6 -1 92 475.75 5

Activity (Go SEA)

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