UCSF

ZINC34684556

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 36 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) 3.55 8.4 -8.56 0 7 0 56 485.632 8
Mid Mid (pH 6-8) 3.55 10.69 -50.49 1 7 1 57 486.64 8
Lo Low (pH 4.5-6) 3.55 12.93 -103.05 2 7 2 58 487.648 8

Activity (Go SEA)

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