UCSF

ZINC55099897

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 28 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) 4.07 12.43 -41.77 1 3 1 25 377.552 5
Hi High (pH 8-9.5) 4.07 10.29 -7.95 0 3 0 24 376.544 5
Hi High (pH 8-9.5) 4.07 12.73 -42.16 1 3 1 25 377.552 5

Activity (Go SEA)

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