UCSF

ZINC37840191

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.92 3.63 -16.71 1 5 0 70 310.35 4
Hi High (pH 8-9.5) 2.38 1.61 -49.62 0 5 -1 73 309.342 4

Activity (Go SEA)

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