UCSF

ZINC52270970

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 15 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) 2.02 3.82 -35.66 3 3 1 46 208.281 4
Hi High (pH 8-9.5) 2.02 4.73 -33.02 2 3 0 49 207.273 4

Activity (Go SEA)

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