UCSF

ZINC20249271

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 29 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) 2.80 5.9 -50.96 3 7 1 75 401.462 7
Hi High (pH 8-9.5) 2.80 5.92 -51.9 3 7 1 75 401.462 7
Hi High (pH 8-9.5) 2.80 3.67 -18.38 2 7 0 74 400.454 7

Activity (Go SEA)

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