UCSF

ZINC19412420

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 0.90 4.79 -94.3 4 4 2 50 241.379 4
Hi High (pH 8-9.5) 0.90 2.56 -36.94 3 4 1 49 240.371 4
Hi High (pH 8-9.5) 0.90 3.5 -41.57 3 4 1 46 240.371 4

Activity (Go SEA)

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