UCSF

ZINC43460940

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 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) 2.83 3.16 -12.44 3 5 0 74 333.189 4
Hi High (pH 8-9.5) 2.83 2.74 -43.69 2 5 -1 72 332.181 4
Lo Low (pH 4.5-6) 2.83 3.65 -28.78 4 5 1 75 334.197 4

Activity (Go SEA)

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