UCSF

ZINC84770855

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2013 21 No

Other Names:

MFCD01176996

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) 3.41 7.36 -11.6 2 3 0 53 300.427 2
Mid Mid (pH 6-8) 4.10 7.15 -9.06 3 3 0 55 300.427 2
Mid Mid (pH 6-8) 3.41 7.98 -6.45 2 3 0 53 300.427 2

Activity (Go SEA)

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

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