UCSF

ZINC43411413

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 0.37 5.57 -96.92 4 4 2 49 245.411 7
Hi High (pH 8-9.5) 0.37 2.91 -100.06 4 4 2 45 245.411 7
Mid Mid (pH 6-8) 0.37 5.07 -191.58 5 4 3 46 246.419 7
Mid Mid (pH 6-8) 0.37 3.69 -77.85 4 4 2 41 245.411 7

Activity (Go SEA)

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