UCSF

ZINC61757159

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2011 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) 2.59 8.94 -37.07 1 4 1 34 342.257 6
Hi High (pH 8-9.5) 2.59 6.56 -10.83 0 4 0 33 341.249 6

Activity (Go SEA)

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