UCSF

ZINC41584715

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

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) 3.99 12.58 -59.76 2 6 1 77 473.524 3
Hi High (pH 8-9.5) 3.99 11.03 -44.4 0 6 -1 79 471.508 3
Mid Mid (pH 6-8) 3.99 10.44 -20.9 1 6 0 76 472.516 3
Mid Mid (pH 6-8) 3.99 13.16 -33.31 1 6 0 80 472.516 3

Activity (Go SEA)

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