UCSF

ZINC25541980

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 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) 3.68 5.89 -19.88 2 5 0 66 336.391 2
Hi High (pH 8-9.5) 3.68 6.72 -63.22 1 5 -1 68 335.383 2

Activity (Go SEA)

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