UCSF

ZINC01112819

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 31 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) 2.08 8.72 -61.95 0 6 -1 86 450.565 6
Mid Mid (pH 6-8) 1.50 8.75 -22.98 0 6 0 80 451.573 6
Lo Low (pH 4.5-6) 2.53 8.05 -52.43 2 6 1 85 452.581 5
Lo Low (pH 4.5-6) 1.50 9.03 -50.39 1 6 1 81 452.581 6

Activity (Go SEA)

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