UCSF

ZINC09123745

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 36 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) 5.08 12.75 -62.58 0 8 -1 113 501.54 6
Mid Mid (pH 6-8) 4.50 14.02 -17.17 0 8 0 107 502.548 6
Mid Mid (pH 6-8) 5.08 13.48 -17.3 1 8 0 110 502.548 6

Activity (Go SEA)

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