UCSF

ZINC19409530

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 16 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) 1.11 5.13 -41.41 2 3 1 37 237.348 1
Hi High (pH 8-9.5) 1.11 3.76 -6.6 1 3 0 32 236.34 1

Activity (Go SEA)

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