UCSF

ZINC55007602

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 18 No

Other Names:

MFCD00615574

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) 0.68 -0.96 -103.72 1 5 -2 88 261.237 1
Mid Mid (pH 6-8) 0.68 -1.77 -47.47 2 5 -1 85 262.245 1
Mid Mid (pH 6-8) 0.23 1.08 -35.67 2 5 -1 85 262.245 1
Lo Low (pH 4.5-6) 0.23 0.28 -11.59 3 5 0 82 263.253 1

Activity (Go SEA)

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

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