UCSF

ZINC26648239

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 27 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) 3.80 9.29 -41.23 3 5 1 63 388.454 9
Hi High (pH 8-9.5) 3.62 8.35 -33.78 2 5 0 69 387.446 9

Activity (Go SEA)

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