UCSF

ZINC37839512

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 No

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 6.64 -44.3 1 5 1 45 270.397 6
Hi High (pH 8-9.5) 0.68 5.5 -55.73 1 5 0 51 269.389 5
Lo Low (pH 4.5-6) -0.07 9.04 -108.18 2 5 2 46 271.405 6
Lo Low (pH 4.5-6) -0.07 6.57 -46.79 1 5 1 45 270.397 6

Activity (Go SEA)

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