UCSF

ZINC33358774

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2009 14 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) 1.12 4.52 -35.65 2 4 1 56 207.282 2
Mid Mid (pH 6-8) 1.12 4.05 -11.47 1 4 0 54 206.274 2
Mid Mid (pH 6-8) 1.12 4.1 -9.82 1 4 0 54 206.274 2

Activity (Go SEA)

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

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