UCSF

ZINC39211532

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 12 Yes

CAS Number: 5502-78-3

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) -0.51 -0.34 -45.66 3 6 1 86 166.164 0
Mid Mid (pH 6-8) -0.51 -0.34 -28.58 2 6 0 83 165.156 0
Mid Mid (pH 6-8) -0.51 -0.81 -17.28 2 6 0 84 165.156 0

Activity (Go SEA)

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

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