UCSF

ZINC62946166

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 19 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) 3.64 8.98 -32.3 3 2 1 30 259.417 2
Mid Mid (pH 6-8) 3.64 7.09 -40.65 3 2 1 31 259.417 2
Mid Mid (pH 6-8) 3.64 8.55 -123.08 4 2 2 32 260.425 2

Activity (Go SEA)

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

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