UCSF

ZINC08640312

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2007 19 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) 4.00 5.56 -41.43 0 4 -1 73 290.393 2
Mid Mid (pH 6-8) 3.54 7.19 -10.33 1 4 0 70 291.401 2
Lo Low (pH 4.5-6) 3.54 6.94 -14.26 1 4 0 70 291.401 2

Activity (Go SEA)

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