UCSF

ZINC37831415

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 2.00 9 -52.38 0 6 -1 87 284.332 9
Lo Low (pH 4.5-6) 2.00 6.99 -11.23 1 6 0 84 285.34 9

Activity (Go SEA)

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