UCSF

ZINC62171252

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 20 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) 2.11 8.75 -37.7 2 3 1 34 270.4 4
Hi High (pH 8-9.5) 2.11 7.78 -6.2 1 3 0 30 269.392 4

Activity (Go SEA)

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