UCSF

ZINC40266979

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 17 No

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) 1.46 0.82 -54.25 3 4 1 71 264.411 6
Hi High (pH 8-9.5) 1.46 -0.06 -12.08 2 4 0 66 263.403 6

Activity (Go SEA)

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