UCSF

ZINC21788394

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 5.66 11.53 -43.25 2 1 1 17 309.26 6
Hi High (pH 8-9.5) 5.66 10.26 -2.63 1 1 0 12 308.252 6

Activity (Go SEA)

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