UCSF

ZINC18023752

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 34 No

Other Names:

MFCD03697587

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) 6.70 12.11 -15.09 1 5 0 63 488.579 5
Ref Reference (pH 7) 6.64 13.16 -16.89 1 5 0 60 488.579 5
Mid Mid (pH 6-8) 7.16 10.88 -50.35 0 5 -1 66 487.571 5
Mid Mid (pH 6-8) 6.70 11.98 -13.33 1 5 0 63 488.579 5

Activity (Go SEA)

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