UCSF

ZINC62786705

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2011 19 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) 3.94 8.33 -42.71 2 2 1 29 297.806 4
Hi High (pH 8-9.5) 3.94 7.03 -6.17 1 2 0 25 296.798 4

Activity (Go SEA)

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