UCSF

ZINC40046946

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 29 No

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) 1.73 3.51 -63.59 2 7 -1 110 396.419 8
Lo Low (pH 4.5-6) 1.73 2.74 -18.48 3 7 0 107 397.427 8

Activity (Go SEA)

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