UCSF

ZINC43894365

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) 2.85 7.86 -34.56 2 3 1 33 284.427 7
Hi High (pH 8-9.5) 2.85 6.85 -4.33 1 3 0 28 283.419 7
Mid Mid (pH 6-8) 2.85 9.79 -118.47 3 3 2 34 285.435 7
Mid Mid (pH 6-8) 2.85 8.58 -89.33 3 3 2 34 285.435 7

Activity (Go SEA)

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