UCSF

ZINC52216443

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) -0.47 1.41 -46.03 3 6 1 66 241.315 3
Hi High (pH 8-9.5) -0.47 -0.74 -19.9 2 6 0 65 240.307 3

Activity (Go SEA)

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