UCSF

ZINC66696228

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2011 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) 3.87 9.53 -37.42 2 4 1 43 327.448 7
Hi High (pH 8-9.5) 3.87 7.53 -9.55 1 4 0 42 326.44 7

Activity (Go SEA)

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