UCSF

ZINC51398184

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) 1.65 5.07 -42.43 3 4 1 53 250.366 5
Hi High (pH 8-9.5) 1.65 4.67 -6.64 2 4 0 51 249.358 5
Mid Mid (pH 6-8) 1.65 4.95 -25.73 3 4 1 53 250.366 5
Lo Low (pH 4.5-6) 1.65 5.34 -107.75 4 4 2 54 251.374 5

Activity (Go SEA)

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