UCSF

ZINC20036210

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 10 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) -0.66 -0.91 -41.08 3 4 1 55 147.198 5
Hi High (pH 8-9.5) -0.66 -2.4 -11.52 2 4 0 50 146.19 5

Activity (Go SEA)

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