UCSF

ZINC20874002

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 24 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) 3.39 8.16 -41.3 2 4 1 38 329.464 9
Mid Mid (pH 6-8) 3.39 9.28 -38.24 2 4 1 35 329.464 9
Lo Low (pH 4.5-6) 3.39 10.69 -119.26 3 4 2 40 330.472 9

Activity (Go SEA)

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