UCSF

ZINC13682592

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 33 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) 3.83 3.64 -20.94 3 9 0 131 509.993 8
Hi High (pH 8-9.5) 3.83 3.74 -42.93 2 9 -1 133 508.985 8

Activity (Go SEA)

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

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