UCSF

ZINC25499517

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 26 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) 3.59 9.73 -12.02 4 6 0 93 350.422 5
Hi High (pH 8-9.5) 4.04 8.22 -51.94 3 6 -1 96 349.414 5

Activity (Go SEA)

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