UCSF

ZINC41198234

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 20 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) 4.01 9.05 -31.77 2 2 1 29 287.452 5
Hi High (pH 8-9.5) 4.01 7.95 -4.79 1 2 0 25 286.444 5

Activity (Go SEA)

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