UCSF

ZINC09370660

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 33 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) 5.69 13.22 -38.49 0 5 -1 70 503.372 6
Ref Reference (pH 7) 5.69 13.49 -58.29 0 5 -1 70 503.372 7
Mid Mid (pH 6-8) 5.69 12.87 -22.6 1 5 0 67 504.38 6
Lo Low (pH 4.5-6) 5.69 12.6 -13.85 1 5 0 67 504.38 7

Activity (Go SEA)

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