UCSF

ZINC43242967

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.90 3.74 -40.62 4 3 1 51 299.504 9
Hi High (pH 8-9.5) 2.90 3.35 -2.67 3 3 0 49 298.496 9
Mid Mid (pH 6-8) 2.90 4.89 -102.66 5 3 2 52 300.512 9

Activity (Go SEA)

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