UCSF

ZINC06700850

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 20 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) 2.00 5.02 -11.6 2 6 0 85 290.197 4
Hi High (pH 8-9.5) 1.62 3.5 -46.16 1 6 -1 91 289.189 5
Lo Low (pH 4.5-6) 1.62 2.31 -18.08 2 6 0 88 290.197 5

Activity (Go SEA)

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