UCSF

ZINC54931014

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 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) 0.39 0.64 -29.44 3 4 1 62 152.177 0
Mid Mid (pH 6-8) 0.39 0.47 -9 2 4 0 61 151.169 0
Mid Mid (pH 6-8) 0.39 0.58 -28.15 3 4 1 62 152.177 0

Activity (Go SEA)

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

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