UCSF

ZINC25081028

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 30 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) 3.83 7.33 -10.62 1 5 0 51 422.447 7
Lo Low (pH 4.5-6) 3.83 9.34 -48.31 2 5 1 52 423.455 7

Activity (Go SEA)

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