UCSF

ZINC47549286

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2010 23 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) 2.34 5.43 -42.53 3 6 1 72 326.461 9
Mid Mid (pH 6-8) 2.34 3.71 -11.87 2 6 0 71 325.453 9

Activity (Go SEA)

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