UCSF

ZINC37855986

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) -0.09 4.07 -186.76 5 4 3 46 220.381 9
Hi High (pH 8-9.5) -0.09 1.61 -100.43 4 4 2 45 219.373 9
Hi High (pH 8-9.5) -0.09 2.04 -38.85 3 4 1 47 218.365 9
Mid Mid (pH 6-8) -0.09 -0.83 -38.54 3 4 1 43 218.365 9

Activity (Go SEA)

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