UCSF

ZINC26366964

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 28 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) 4.41 6.15 -21.78 3 6 0 102 456.376 5
Hi High (pH 8-9.5) 4.48 5.23 -52.42 2 6 -1 108 455.368 5

Activity (Go SEA)

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