UCSF

ZINC08063414

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 25 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) 4.16 8.77 -36.33 2 5 1 56 356.833 5
Hi High (pH 8-9.5) 4.16 8.35 -12.06 1 5 0 54 355.825 5

Activity (Go SEA)

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