UCSF

ZINC37869398

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 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) 0.91 2.09 -38.32 4 6 1 87 283.348 7
Hi High (pH 8-9.5) 0.91 1.12 -8.77 3 6 0 83 282.34 7

Activity (Go SEA)

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