UCSF

ZINC37840776

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) 1.66 1.76 -15.27 2 6 0 90 302.396 9
Hi High (pH 8-9.5) 2.12 -0.12 -50.09 1 6 -1 94 301.388 9

Activity (Go SEA)

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