UCSF

ZINC39018703

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 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) 0.69 6.03 -117.83 3 3 2 34 209.337 7
Mid Mid (pH 6-8) 0.69 3.93 -37.38 2 3 1 33 208.329 7
Lo Low (pH 4.5-6) 0.69 4.39 -89.13 3 3 2 34 209.337 7

Activity (Go SEA)

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