UCSF

ZINC21193829

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 19 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) 2.27 2.91 -20.61 2 5 0 75 284.381 6
Hi High (pH 8-9.5) 2.27 2.98 -49.21 1 5 -1 77 283.373 6

Activity (Go SEA)

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