UCSF

ZINC87608291

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2013 0 Yes

Other Names:

NA

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) -0.08 2.56 -36.59 2 3 1 29 164.232 1
Hi High (pH 8-9.5) -0.08 0.74 -3.41 1 3 0 28 163.224 1
Mid Mid (pH 6-8) -0.08 3.96 -122.49 3 3 2 34 165.24 1

Activity (Go SEA)

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

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