UCSF

ZINC14007494

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 24 No

Other Names:

MFCD07777831

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) 3.31 8.06 -46.41 0 5 -1 65 321.356 4
Ref Reference (pH 7) 3.31 8.35 -45.6 0 5 -1 65 321.356 4
Mid Mid (pH 6-8) 2.76 7.94 -14.04 0 5 0 59 322.364 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.