UCSF

ZINC20229879

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 No

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) 3.62 11.37 -77.35 1 7 0 83 464.562 7
Hi High (pH 8-9.5) 3.62 8.84 -60.35 0 7 -1 82 463.554 7

Activity (Go SEA)

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