UCSF

ZINC04000246

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 19 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) 2.16 -1.5 -50.59 3 3 1 45 252.341 5
Lo Low (pH 4.5-6) 2.16 -1.38 -108.07 4 3 2 46 253.349 5

Activity (Go SEA)

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