UCSF

ZINC52209880

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 20 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) 2.06 7.95 -96.77 2 5 2 48 282.432 7
Hi High (pH 8-9.5) 2.06 5.7 -40.92 1 5 1 47 281.424 7

Activity (Go SEA)

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