UCSF

ZINC62663881

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2011 18 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) 0.47 3.76 -42.44 1 5 1 41 269.394 4
Hi High (pH 8-9.5) 0.47 1.29 -9.77 0 5 0 40 268.386 4

Activity (Go SEA)

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