UCSF

ZINC36873852

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 2.34 7.55 -30.87 4 3 1 56 272.416 5
Hi High (pH 8-9.5) 2.34 6.96 -6.54 3 3 0 55 271.408 5
Mid Mid (pH 6-8) 2.34 7.23 -45.49 4 3 1 56 272.416 5
Lo Low (pH 4.5-6) 2.34 7.84 -117.38 5 3 2 58 273.424 5

Activity (Go SEA)

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