UCSF

ZINC90623776

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2013 24 No

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) 3.78 3.17 -17.12 4 6 0 102 322.32 3
Hi High (pH 8-9.5) 3.78 4.16 -65.66 3 6 -1 105 321.312 3

Activity (Go SEA)

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

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