UCSF

ZINC62960259

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 2.56 6.75 -46.08 1 5 -1 72 269.365 6
Lo Low (pH 4.5-6) 2.56 4.77 -10.73 2 5 0 70 270.373 6

Activity (Go SEA)

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