UCSF

ZINC27645952

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 12 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) -4.21 -4.78 -60.77 5 6 0 117 176.172 4
Hi High (pH 8-9.5) -4.21 -5.11 -46.02 4 6 -1 115 175.164 4

Activity (Go SEA)

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

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