UCSF

ZINC37609011

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 18 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) 1.88 6.32 -41.77 3 3 1 45 250.272 4
Hi High (pH 8-9.5) 1.88 5.16 -6.47 2 3 0 41 249.264 4

Activity (Go SEA)

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