UCSF

ZINC34866341

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 23 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) 3.86 9.86 -41.34 2 3 1 34 360.28 4
Hi High (pH 8-9.5) 3.86 7.71 -5.54 1 3 0 32 359.272 4

Activity (Go SEA)

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