UCSF

ZINC12302068

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.78 -1.69 -108.21 3 5 2 51 386.584 5
Lo Low (pH 4.5-6) 2.78 -1.64 -163.47 4 5 3 52 387.592 5

Activity (Go SEA)

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