UCSF

ZINC20272268

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 26 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) 3.00 8.66 -57.46 1 6 1 68 401.574 6
Hi High (pH 8-9.5) 3.00 6.65 -15.04 0 6 0 67 400.566 6

Activity (Go SEA)

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