UCSF

ZINC35761561

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 0.58 5.46 -14.32 1 6 0 66 344.459 5
Lo Low (pH 4.5-6) 0.58 7.18 -47.09 2 6 1 67 345.467 5
Lo Low (pH 4.5-6) 0.58 7.58 -96.01 3 6 2 68 346.475 5

Activity (Go SEA)

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