UCSF

ZINC17986705

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 24 No

Other Names:

MFCD01873972

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) 3.75 10.02 -7.88 0 5 0 64 329.396 5
Ref Reference (pH 7) 3.75 10.3 -9.34 0 5 0 64 329.396 5

Activity (Go SEA)

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

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