UCSF

ZINC29222676

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 24 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) -2.78 6.63 -43.13 1 5 1 45 343.476 4
Mid Mid (pH 6-8) -2.78 9.16 -114.35 2 5 2 46 344.484 4

Activity (Go SEA)

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