UCSF

ZINC41536232

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 24 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) 2.19 10.03 -92.55 3 5 2 51 346.5 6
Hi High (pH 8-9.5) 2.19 5.28 -13.63 1 5 0 48 344.484 6
Hi High (pH 8-9.5) 2.38 6.51 -50.7 1 5 0 56 344.484 6
Mid Mid (pH 6-8) 2.38 8.79 -71.32 2 5 1 57 345.492 6
Mid Mid (pH 6-8) 2.19 7.75 -47.56 2 5 1 50 345.492 6

Activity (Go SEA)

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