UCSF

ZINC20434385

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) -1.02 -0.48 -94.03 5 5 2 70 217.313 5
Hi High (pH 8-9.5) -1.02 -1.68 -50.13 4 5 1 66 216.305 5

Activity (Go SEA)

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