UCSF

ZINC13692086

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 27 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) 2.98 6.79 -11.8 0 5 0 56 376.437 3
Lo Low (pH 4.5-6) 2.98 9.96 -122.64 2 5 2 58 378.453 3
Lo Low (pH 4.5-6) 2.98 7.17 -41.68 1 5 1 57 377.445 3

Activity (Go SEA)

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