UCSF

ZINC43247692

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 15 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) 2.32 4.42 -39.37 3 2 1 31 227.397 5
Hi High (pH 8-9.5) 2.32 4.38 -1.65 2 2 0 29 226.389 5
Mid Mid (pH 6-8) 2.32 5.8 -30.76 3 2 1 30 227.397 5
Mid Mid (pH 6-8) 2.32 6.14 -106.78 4 2 2 32 228.405 5

Activity (Go SEA)

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