UCSF

ZINC12430872

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 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) 3.33 -1.18 -43.05 2 4 1 52 320.416 6
Lo Low (pH 4.5-6) 3.33 -0.58 -98.69 3 4 2 53 321.424 6
Lo Low (pH 4.5-6) 3.33 -1.12 -113.82 3 4 2 53 321.424 6
Lo Low (pH 4.5-6) 3.33 -0.52 -189.65 4 4 3 54 322.432 6

Activity (Go SEA)

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