UCSF

ZINC23010515

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 27 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) 1.24 5.75 -21.89 1 6 0 73 365.433 2
Hi High (pH 8-9.5) 1.70 4.72 -43 0 6 -1 77 364.425 2
Mid Mid (pH 6-8) 1.24 8.16 -54.67 2 6 1 75 366.441 2

Activity (Go SEA)

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

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