UCSF

ZINC21952170

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 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) 2.03 5.57 -42.88 2 3 1 37 247.362 4
Hi High (pH 8-9.5) 2.03 4.16 -6.78 1 3 0 32 246.354 4
Mid Mid (pH 6-8) 2.03 6.38 -33.03 2 3 1 34 247.362 4
Lo Low (pH 4.5-6) 2.03 7.78 -115.76 3 3 2 38 248.37 4

Activity (Go SEA)

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