UCSF

ZINC47979458

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 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) 0.43 1.72 -45.55 4 4 1 69 209.269 7
Hi High (pH 8-9.5) 0.43 0.39 -8.79 3 4 0 64 208.261 7

Activity (Go SEA)

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