UCSF

ZINC69797754

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 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) -0.28 2.24 -57.99 3 4 1 61 195.242 1
Hi High (pH 8-9.5) -0.28 1.96 -10.21 2 4 0 59 194.234 1

Activity (Go SEA)

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

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