UCSF

ZINC34841085

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 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) 2.00 5.83 -32.46 1 3 1 27 207.297 4
Hi High (pH 8-9.5) 2.00 3.62 -5.02 0 3 0 25 206.289 4

Activity (Go SEA)

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