UCSF

ZINC37869781

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 12 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) 1.31 0.87 -42.14 4 3 1 60 171.264 2
Hi High (pH 8-9.5) 1.31 -0.41 -6.66 3 3 0 55 170.256 2

Activity (Go SEA)

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