UCSF

ZINC39912364

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 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) 5.42 11.08 -11.71 2 6 0 78 453.542 5
Hi High (pH 8-9.5) 5.19 11.27 -54.09 0 6 -1 77 452.534 5
Hi High (pH 8-9.5) 5.19 11.47 -45.75 0 6 -1 77 452.534 5
Hi High (pH 8-9.5) 5.42 11.95 -48.16 1 6 -1 81 452.534 5

Activity (Go SEA)

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