UCSF

ZINC44650689

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 0.23 3.55 -41.77 2 4 1 40 226.344 5
Hi High (pH 8-9.5) 0.23 2.19 -7.17 1 4 0 36 225.336 5
Hi High (pH 8-9.5) 0.23 4.56 -39.99 2 4 1 37 226.344 5
Mid Mid (pH 6-8) 0.23 5.92 -95.52 3 4 2 41 227.352 5

Activity (Go SEA)

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