UCSF

ZINC41680353

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 14 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) -0.77 3.36 -101.86 4 4 2 52 201.314 5
Hi High (pH 8-9.5) -0.77 3.07 -38.99 3 4 1 51 200.306 5

Activity (Go SEA)

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