UCSF

ZINC39988457

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 34 No

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) -0.59 1.98 -94.24 6 10 2 133 490.686 6
Hi High (pH 8-9.5) -0.59 1.65 -49.82 5 10 1 131 489.678 6

Activity (Go SEA)

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