UCSF

ZINC13406330

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 16 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) 3.57 4.27 -5.4 1 2 0 33 215.227 2
Ref Reference (pH 7) 3.57 5.47 -6.23 1 2 0 33 215.227 2
Hi High (pH 8-9.5) 3.57 6.25 -44.94 0 2 -1 35 214.219 2
Hi High (pH 8-9.5) 3.57 5.04 -36.83 0 2 -1 35 214.219 2
Lo Low (pH 4.5-6) 3.57 4.7 -34.92 2 2 1 34 216.235 2
Lo Low (pH 4.5-6) 3.57 6.44 -36.31 2 2 1 34 216.235 2

Activity (Go SEA)

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