UCSF

ZINC41648512

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 No

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) 3.06 6.45 -11.57 0 9 0 101 451.479 5
Mid Mid (pH 6-8) 3.06 8.72 -50.9 1 9 1 102 452.487 5

Activity (Go SEA)

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