UCSF

ZINC09334899

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2007 29 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) 5.44 12.36 -57.02 0 4 -1 60 394.466 8
Mid Mid (pH 6-8) 4.86 1.85 -10.03 0 4 0 54 395.474 8
Lo Low (pH 4.5-6) 5.44 11.53 -13.66 1 4 0 58 395.474 8

Activity (Go SEA)

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