UCSF

ZINC37068812

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 2.90 5.96 -35.13 2 4 1 35 265.377 6
Hi High (pH 8-9.5) 2.90 3.49 -5.23 1 4 0 34 264.369 6

Activity (Go SEA)

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