UCSF

ZINC39799042

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 20 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) -2.74 3.2 -79.02 4 7 0 117 285.344 5
Hi High (pH 8-9.5) -2.74 2.92 -63.81 3 7 -1 116 284.336 5

Activity (Go SEA)

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