UCSF

ZINC06992895

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2006 24 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) 3.06 11.35 -42.26 2 4 1 43 327.448 7
Hi High (pH 8-9.5) 3.06 8.57 -9.91 1 4 0 42 326.44 7

Activity (Go SEA)

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