UCSF

ZINC41552122

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 26 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) 2.45 10.1 -51.07 1 6 1 64 359.446 5
Mid Mid (pH 6-8) 2.45 7.89 -9.17 0 6 0 63 358.438 5

Activity (Go SEA)

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