UCSF

ZINC23248732

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 35 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) 4.17 12.96 -61.57 2 7 1 80 489.621 7
Hi High (pH 8-9.5) 4.17 10.72 -13.38 1 7 0 79 488.613 7
Mid Mid (pH 6-8) 4.63 10.33 -44.87 1 7 0 83 488.613 7

Activity (Go SEA)

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