UCSF

ZINC37609104

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 17 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) 2.28 6.8 -41.8 3 3 1 45 248.737 4
Hi High (pH 8-9.5) 2.28 5.48 -6.54 2 3 0 41 247.729 4

Activity (Go SEA)

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