UCSF

ZINC40064855

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.38 9.74 -12.88 1 6 0 80 486.362 5
Hi High (pH 8-9.5) 5.38 10.66 -51.9 0 6 -1 83 485.354 5

Activity (Go SEA)

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