UCSF

ZINC43970819

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) 1.90 5.97 -85.8 3 4 2 34 285.476 6
Hi High (pH 8-9.5) 1.90 4.86 -36.21 2 4 1 29 284.468 6
Hi High (pH 8-9.5) 1.90 4.56 -33.4 2 4 1 29 284.468 6
Mid Mid (pH 6-8) 1.90 6.68 -95.83 3 4 2 30 285.476 6

Activity (Go SEA)

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