UCSF

ZINC07737786

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2006 27 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) 4.54 9.77 -15.95 1 5 0 64 358.397 5
Hi High (pH 8-9.5) 4.54 10.92 -67.56 0 5 -1 67 357.389 5
Hi High (pH 8-9.5) 4.54 10.07 -60.11 0 5 -1 67 357.389 5

Activity (Go SEA)

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