UCSF

ZINC62810050

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 11 Yes

Other Names:

MFCD18267767

MFCD24387647

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) -0.20 -1.07 -40.9 2 4 1 52 152.177 2
Mid Mid (pH 6-8) -0.20 -2.77 -7.58 1 4 0 47 151.169 2

Activity (Go SEA)

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

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