UCSF

ZINC13751655

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 22 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) 4.45 7.77 -40.39 0 3 -1 44 315.324 3
Ref Reference (pH 7) 4.95 8.29 -8.69 1 3 0 45 316.332 2
Ref Reference (pH 7) 4.95 7.87 -8.54 1 3 0 45 316.332 2
Hi High (pH 8-9.5) 5.40 5.86 -44.75 0 3 -1 48 315.324 2
Hi High (pH 8-9.5) 5.40 6.54 -40.37 0 3 -1 48 315.324 2

Activity (Go SEA)

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