UCSF

ZINC62939492

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 15 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) -1.00 -0.03 -9.49 1 7 0 70 212.257 3
Mid Mid (pH 6-8) -1.00 2.26 -44.17 2 7 1 72 213.265 3

Activity (Go SEA)

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

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