UCSF

ZINC25499559

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 29 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) 4.44 10.45 -59.42 3 8 -1 127 394.407 6
Hi High (pH 8-9.5) 4.90 8.87 -107.97 2 8 -2 130 393.399 6

Activity (Go SEA)

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