UCSF

ZINC58330135

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 18 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) 2.87 3.98 -8.99 0 4 0 41 243.262 0
Mid Mid (pH 6-8) 2.87 4.36 -28.64 1 4 1 42 244.27 0

Activity (Go SEA)

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

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