UCSF

ZINC60188355

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 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) 4.42 10.64 -38.17 1 2 1 14 270.396 6
Hi High (pH 8-9.5) 4.42 8.61 -4.22 0 2 0 12 269.388 6

Activity (Go SEA)

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