UCSF

ZINC36769517

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) 1.95 2.77 -44.42 3 3 1 40 229.388 5
Lo Low (pH 4.5-6) 1.95 4.62 -122.86 4 3 2 41 230.396 5

Activity (Go SEA)

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