UCSF

ZINC41663451

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 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) 5.32 12.8 -16.84 0 6 0 73 469.468 4
Mid Mid (pH 6-8) 5.32 15.63 -56.92 1 6 1 74 470.476 4

Activity (Go SEA)

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