UCSF

ZINC62841805

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 17 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) 1.54 6.33 -91.23 3 3 2 30 242.407 5
Hi High (pH 8-9.5) 1.54 4.75 -38.19 2 3 1 29 241.399 5

Activity (Go SEA)

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

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