UCSF

ZINC36612361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 21 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) 1.06 6.73 -32.78 2 4 0 66 325.283 5
Mid Mid (pH 6-8) 1.06 5.99 -43 1 4 -1 61 324.275 5

Activity (Go SEA)

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