UCSF

ZINC36867617

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) -1.98 -3.19 -51 6 7 1 118 198.206 2
Hi High (pH 8-9.5) -1.52 -4.86 -65.56 5 7 0 121 197.198 2

Activity (Go SEA)

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

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