UCSF

ZINC66539659

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2011 20 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) 2.75 7.47 -36.5 2 4 1 43 283.436 8
Hi High (pH 8-9.5) 2.75 5.35 -8.27 1 4 0 42 282.428 8

Activity (Go SEA)

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