UCSF

ZINC20294953

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 16 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) -0.14 0.84 -45.54 5 5 1 91 228.316 4
Hi High (pH 8-9.5) -0.14 0.52 -18.34 4 5 0 89 227.308 4

Activity (Go SEA)

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