UCSF

ZINC09124273

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 33 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) 5.22 10.03 -10.49 2 6 0 82 499.785 4
Hi High (pH 8-9.5) 5.20 9.91 -50.85 0 6 -1 81 498.777 4
Hi High (pH 8-9.5) 5.20 10.05 -46.6 0 6 -1 81 498.777 4
Hi High (pH 8-9.5) 5.22 10.85 -39.77 1 6 -1 85 498.777 4
Mid Mid (pH 6-8) 5.22 10.82 -45.21 1 6 -1 85 498.777 4
Lo Low (pH 4.5-6) 5.22 9.51 -39.48 3 6 1 83 500.793 4

Activity (Go SEA)

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