UCSF

ZINC15081509

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 26 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) 3.99 8.22 -11.16 3 5 0 77 385.876 4
Lo Low (pH 4.5-6) 3.99 8.45 -37.16 4 5 1 78 386.884 4

Activity (Go SEA)

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