UCSF

ZINC04157817

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 23 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) 4.08 8.06 -9.53 1 3 0 38 344.402 7
Lo Low (pH 4.5-6) 4.08 8.55 -30.46 2 3 1 39 345.41 7

Activity (Go SEA)

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