UCSF

ZINC51951687

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 18 Yes

Other Names:

MFCD14706801

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) 3.98 7.75 -9.25 1 2 0 29 256.736 2
Lo Low (pH 4.5-6) 3.98 8.2 -30.59 2 2 1 30 257.744 2

Activity (Go SEA)

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

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