UCSF

ZINC26176641

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 36 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) 0.79 6.99 -56.97 5 11 1 138 500.624 9
Hi High (pH 8-9.5) 0.79 6.99 -58.08 5 11 1 138 500.624 9
Hi High (pH 8-9.5) 0.79 4.97 -29.55 4 11 0 137 499.616 9

Activity (Go SEA)

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