UCSF

ZINC20039338

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 1.85 4.25 -36.97 3 4 1 46 258.43 9
Hi High (pH 8-9.5) 1.85 2.19 -7.76 2 4 0 44 257.422 9
Mid Mid (pH 6-8) 1.85 3.6 -42.75 3 4 1 49 258.43 9
Mid Mid (pH 6-8) 1.85 5.65 -113.58 4 4 2 50 259.438 9

Activity (Go SEA)

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