UCSF

ZINC49969204

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2010 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) 2.84 8.76 -44.33 2 5 1 53 361.535 4
Hi High (pH 8-9.5) 2.84 6.77 -10.22 1 5 0 52 360.527 4

Activity (Go SEA)

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