UCSF

ZINC41667405

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 2.13 4.8 -9.1 0 5 0 60 287.315 2
Mid Mid (pH 6-8) 2.13 7.81 -41.8 1 5 1 61 288.323 2

Activity (Go SEA)

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