UCSF

ZINC45630727

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) 2.42 6.48 -34.77 2 2 1 16 209.357 4
Hi High (pH 8-9.5) 2.42 4.27 -0.83 1 2 0 15 208.349 4
Lo Low (pH 4.5-6) 2.42 5.47 -36.17 2 2 1 20 209.357 4
Lo Low (pH 4.5-6) 2.42 7.67 -110.47 3 2 2 21 210.365 4

Activity (Go SEA)

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