UCSF

ZINC42627693

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2010 23 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) 1.41 4.58 -36.06 3 6 1 66 325.477 8
Mid Mid (pH 6-8) 1.41 4.52 -41.73 3 6 1 66 325.477 8
Mid Mid (pH 6-8) 1.41 2.33 -13.89 2 6 0 65 324.469 8

Activity (Go SEA)

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