UCSF

ZINC20756741

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 35 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) 2.56 6.77 -29.97 3 10 0 126 478.505 5
Hi High (pH 8-9.5) 2.56 4.81 -41.68 2 10 -1 125 477.497 5
Hi High (pH 8-9.5) 2.56 4.81 -41.88 2 10 -1 125 477.497 5

Activity (Go SEA)

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