UCSF

ZINC43897508

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 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) 3.01 9.28 -88.77 3 3 2 24 291.483 7
Hi High (pH 8-9.5) 3.01 7.47 -37.5 2 3 1 20 290.475 7
Hi High (pH 8-9.5) 3.01 8.41 -34.78 2 3 1 20 290.475 7
Mid Mid (pH 6-8) 3.01 10.08 -104.75 3 3 2 21 291.483 7
Lo Low (pH 4.5-6) 3.01 11.06 -211.44 4 3 3 25 292.491 7

Activity (Go SEA)

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