UCSF

ZINC42464935

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 1.39 4.68 -42.53 2 4 1 51 250.318 5
Hi High (pH 8-9.5) 1.39 3.12 -45.69 0 4 -1 53 248.302 5
Mid Mid (pH 6-8) 1.39 2.35 -11.05 1 4 0 50 249.31 5

Activity (Go SEA)

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