UCSF

ZINC25548429

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) 4.04 6.51 -16.37 2 5 0 66 401.26 2
Hi High (pH 8-9.5) 4.04 7.47 -60.67 1 5 -1 68 400.252 2

Activity (Go SEA)

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