UCSF

ZINC07471852

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2006 28 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) 4.28 11.86 -10.63 2 5 0 71 394.544 7
Hi High (pH 8-9.5) 4.28 11.66 -47.63 1 5 -1 69 393.536 7

Activity (Go SEA)

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