UCSF

ZINC41194881

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 24 No

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) 2.69 6.18 -8.61 2 5 0 61 349.793 6
Hi High (pH 8-9.5) 2.88 5.33 -44.21 1 5 -1 68 348.785 6

Activity (Go SEA)

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