UCSF

ZINC41573725

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.40 4.9 -40.03 2 5 1 54 340.513 7
Hi High (pH 8-9.5) 2.40 2.62 -9.49 1 5 0 53 339.505 7
Mid Mid (pH 6-8) 2.40 4.9 -45.02 2 5 1 54 340.513 7

Activity (Go SEA)

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