UCSF

ZINC25497708

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 3.99 11.07 -51.91 2 6 -1 98 334.355 5
Hi High (pH 8-9.5) 4.44 9.47 -138.99 1 6 -2 101 333.347 5

Activity (Go SEA)

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