UCSF

ZINC67286555

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 25 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) 1.96 4.72 -44.73 4 6 1 94 368.523 7
Hi High (pH 8-9.5) 1.96 3.2 -14.54 3 6 0 93 367.515 7

Activity (Go SEA)

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