UCSF

ZINC28756881

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 19 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) 3.47 7.84 -28.98 2 5 1 72 254.269 2
Hi High (pH 8-9.5) 3.47 7.58 -8.78 1 5 0 71 253.261 2

Activity (Go SEA)

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