UCSF

ZINC57754339

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 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) 2.70 8.16 -54.86 3 5 1 68 396.914 4
Hi High (pH 8-9.5) 2.70 6.11 -15.82 2 5 0 67 395.906 4

Activity (Go SEA)

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