UCSF

ZINC60327943

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 25 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) 5.98 14.45 -50.34 0 2 -1 40 337.483 4
Lo Low (pH 4.5-6) 5.98 12.4 -5.63 1 2 0 37 338.491 4

Activity (Go SEA)

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