UCSF

ZINC20070853

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.04 6.52 -116.19 4 4 2 50 279.359 4
Hi High (pH 8-9.5) 2.04 2.93 -7.87 2 4 0 44 277.343 4
Hi High (pH 8-9.5) 2.04 4.1 -45.07 3 4 1 49 278.351 4
Mid Mid (pH 6-8) 2.04 5.35 -40.12 3 4 1 46 278.351 4

Activity (Go SEA)

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