UCSF

ZINC25385851

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 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) 2.60 6.82 -10.5 0 4 0 36 350.249 3
Lo Low (pH 4.5-6) 2.60 9.03 -56.59 1 4 1 38 351.257 3

Activity (Go SEA)

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