UCSF

ZINC04453208

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 21 No

Other Names:

MFCD03884274

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) 1.55 -5.2 -14.02 3 5 0 86 301.323 3
Mid Mid (pH 6-8) 0.97 -5.32 -20.77 2 5 0 83 301.323 3

Activity (Go SEA)

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