UCSF

ZINC70328151

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 20 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) -2.24 -0.72 -13.23 4 7 0 102 271.28 2
Mid Mid (pH 6-8) -2.24 -0.41 -61.59 5 7 1 104 272.288 2
Mid Mid (pH 6-8) -2.24 -0.41 -61.59 5 7 1 104 272.288 2

Activity (Go SEA)

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

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