UCSF

ZINC20993481

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 20 Yes

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) 3.33 8.7 -43.21 1 2 1 8 297.825 3
Hi High (pH 8-9.5) 3.33 6.33 -3.4 0 2 0 6 296.817 3
Mid Mid (pH 6-8) 3.33 8.78 -37.99 1 2 1 8 297.825 3
Lo Low (pH 4.5-6) 3.33 10.96 -117.91 2 2 2 9 298.833 3

Activity (Go SEA)

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