UCSF

ZINC16267678

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2008 27 No

Other Names:

MFCD03080260

Download: MOL2 SDF SMILES Flexibase

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) 6.02 9.16 -7.07 1 5 0 67 397.887 2
Ref Reference (pH 7) 6.02 10.57 -11.47 1 5 0 67 397.887 2
Ref Reference (pH 7) 6.02 9.54 -7.62 1 5 0 67 397.887 2
Ref Reference (pH 7) 6.02 10.92 -11.64 1 5 0 67 397.887 2
Mid Mid (pH 6-8) 6.48 8.78 -50.49 0 5 -1 70 396.879 2
Mid Mid (pH 6-8) 6.48 7.21 -43.55 0 5 -1 70 396.879 2
Mid Mid (pH 6-8) 6.48 7.59 -45.43 0 5 -1 70 396.879 2
Mid Mid (pH 6-8) 6.48 9.12 -51.62 0 5 -1 70 396.879 2

Activity (Go SEA)

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