UCSF

ZINC37840395

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.69 4.95 -44.93 2 6 1 70 317.479 9
Hi High (pH 8-9.5) 1.69 2.61 -9.51 1 6 0 69 316.471 9

Activity (Go SEA)

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