UCSF

ZINC37870430

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 18 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) 1.96 4.94 -38.2 4 3 1 60 241.314 4
Hi High (pH 8-9.5) 1.96 4.07 -9.24 3 3 0 55 240.306 4

Activity (Go SEA)

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