UCSF

ZINC20094046

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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) 3.56 10.8 -34.77 2 2 1 16 281.423 5
Hi High (pH 8-9.5) 3.56 9.02 -2.44 1 2 0 15 280.415 5
Mid Mid (pH 6-8) 3.56 9.12 -37.6 2 2 1 20 281.423 5
Lo Low (pH 4.5-6) 3.56 11.36 -123.89 3 2 2 21 282.431 5

Activity (Go SEA)

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