UCSF

ZINC54930838

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 13 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) 1.98 3.74 -7.46 1 3 0 46 178.235 1
Hi High (pH 8-9.5) 2.43 1.88 -48.97 0 3 -1 49 177.227 1

Activity (Go SEA)

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