UCSF

ZINC66055315

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 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) 0.21 8.16 -33.86 1 3 0 45 205.257 3
Hi High (pH 8-9.5) 0.21 5.6 -49.16 0 3 -1 43 204.249 3

Activity (Go SEA)

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

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