UCSF

ZINC21788059

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 4.49 8.65 -46.69 2 2 1 26 316.73 6
Hi High (pH 8-9.5) 4.49 7.23 -3.51 1 2 0 21 315.722 6

Activity (Go SEA)

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