UCSF

ZINC43982190

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 3.55 7.27 -28.36 2 3 1 20 284.512 8
Hi High (pH 8-9.5) 3.55 8.34 -35.62 2 3 1 20 284.512 8
Hi High (pH 8-9.5) 3.55 7.1 -31.19 2 3 1 23 284.512 8
Mid Mid (pH 6-8) 3.55 9.72 -105.99 3 3 2 21 285.52 8
Mid Mid (pH 6-8) 3.55 8.08 -103.55 3 3 2 24 285.52 8
Lo Low (pH 4.5-6) 3.55 10.6 -215.99 4 3 3 25 286.528 8

Activity (Go SEA)

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