UCSF

ZINC00799455

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 28 No

Other Names:

MFCD00771179

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) 6.39 -0.89 -6.64 0 4 0 55 491.369 4
Mid Mid (pH 6-8) 6.58 -0.83 -8.29 0 4 0 55 491.369 4
Mid Mid (pH 6-8) 6.58 0.32 -8.8 0 4 0 55 491.369 4
Mid Mid (pH 6-8) 6.39 -0.95 -11.16 0 4 0 55 491.369 4

Activity (Go SEA)

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