UCSF

ZINC19432708

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 17 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) 3.14 6.33 -38.29 2 3 1 37 237.367 1
Hi High (pH 8-9.5) 3.14 5.22 -9.02 1 3 0 32 236.359 1

Activity (Go SEA)

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