UCSF

ZINC43968824

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 1.46 2.83 -30.56 2 4 1 38 245.387 8
Hi High (pH 8-9.5) 1.46 2.65 -2.65 1 4 0 34 244.379 8
Mid Mid (pH 6-8) 1.46 3.7 -28.17 2 4 1 35 245.387 8

Activity (Go SEA)

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