UCSF

ZINC66594318

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2011 17 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) 3.25 8.88 -49.55 2 2 1 40 229.347 4
Hi High (pH 8-9.5) 3.25 7.59 -4.78 1 2 0 36 228.339 4

Activity (Go SEA)

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