UCSF

ZINC37840461

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) 0.07 2.19 -16.34 1 8 0 106 318.351 9
Hi High (pH 8-9.5) 0.53 0.32 -54.87 0 8 -1 109 317.343 9

Activity (Go SEA)

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