UCSF

ZINC90759792

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2013 11 Yes

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) -0.07 2.43 -17.54 1 4 0 55 151.169 1
Mid Mid (pH 6-8) -0.07 2.24 -29.53 2 4 1 56 152.177 1
Mid Mid (pH 6-8) -0.07 2.61 -36.21 2 4 1 56 152.177 1

Activity (Go SEA)

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

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