UCSF

ZINC62519844

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 13 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) 2.74 4.69 -4.08 1 2 0 21 177.247 0
Mid Mid (pH 6-8) 2.74 5.09 -34.06 2 2 1 26 178.255 0

Activity (Go SEA)

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

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