UCSF

ZINC20070683

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 17 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) 0.50 5.89 -112.34 3 4 2 41 239.363 3
Hi High (pH 8-9.5) 0.50 2.31 -7.6 1 4 0 36 237.347 3
Hi High (pH 8-9.5) 0.50 3.48 -41 2 4 1 40 238.355 3
Mid Mid (pH 6-8) 0.50 4.73 -40.09 2 4 1 37 238.355 3

Activity (Go SEA)

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