UCSF

ZINC41725202

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) -0.32 7.16 -85.56 4 3 2 37 237.391 4
Hi High (pH 8-9.5) -0.32 6.83 -41.15 3 3 1 35 236.383 4

Activity (Go SEA)

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