UCSF

ZINC19901648

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 26 No

Other Names:

MFCD00706242

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.27 6.28 -31.23 2 8 -1 121 369.382 5
Mid Mid (pH 6-8) 2.76 6.85 -12.78 3 8 0 124 370.39 5

Activity (Go SEA)

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