UCSF

ZINC51397747

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 1.19 6.07 -85.36 4 4 2 48 250.39 4
Hi High (pH 8-9.5) 1.19 5.67 -39.31 3 4 1 47 249.382 4
Mid Mid (pH 6-8) 1.19 6.06 -81.28 4 4 2 48 250.39 4
Lo Low (pH 4.5-6) 1.19 6.45 -180.19 5 4 3 49 251.398 4

Activity (Go SEA)

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