UCSF

ZINC40996609

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 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) 3.39 7.04 -41.11 2 2 1 29 233.36 4
Hi High (pH 8-9.5) 3.39 5.67 -5.01 1 2 0 25 232.352 4

Activity (Go SEA)

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