UCSF

ZINC44725444

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 16 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) 0.45 3.74 -86.39 4 3 2 35 225.38 2
Hi High (pH 8-9.5) 0.45 1.35 -41.81 3 3 1 34 224.372 2
Mid Mid (pH 6-8) 0.45 5.47 -101.31 4 3 2 35 225.38 2

Activity (Go SEA)

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