UCSF

ZINC37839421

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 No

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) 1.52 7.79 -15.44 0 3 0 37 209.289 5
Hi High (pH 8-9.5) 2.27 6.75 -53.73 0 3 -1 43 208.281 4

Activity (Go SEA)

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