UCSF

ZINC13281518

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 33 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) 7.09 16.23 -11.78 0 3 0 31 431.535 8
Lo Low (pH 4.5-6) 7.09 16.49 -39.41 1 3 1 33 432.543 8

Activity (Go SEA)

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