UCSF

ZINC22566227

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 0.90 8.53 -109.46 4 3 2 47 259.397 4
Hi High (pH 8-9.5) 0.90 7.66 -7.5 2 3 0 44 257.381 4
Mid Mid (pH 6-8) 0.90 8.11 -52.34 3 3 1 45 258.389 4

Activity (Go SEA)

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