UCSF

ZINC39911916

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.10 9.73 -9.87 2 5 0 69 393.462 5
Hi High (pH 8-9.5) 4.87 9.91 -55.99 0 5 -1 68 392.454 5
Hi High (pH 8-9.5) 4.87 9.77 -56.96 0 5 -1 68 392.454 5
Hi High (pH 8-9.5) 5.10 10.36 -48.21 1 5 -1 72 392.454 5

Activity (Go SEA)

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