UCSF

ZINC39278930

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 21 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) 1.18 -0.4 -49.74 5 6 1 95 295.359 6
Hi High (pH 8-9.5) 1.18 -1.66 -10.49 4 6 0 91 294.351 6

Activity (Go SEA)

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