UCSF

ZINC26284436

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 22 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) 3.69 8.04 -42.55 3 4 1 54 303.426 2
Hi High (pH 8-9.5) 3.69 8.9 -72.77 2 4 0 57 302.418 2

Activity (Go SEA)

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