UCSF

ZINC43799278

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) -0.86 3.64 -48.63 2 6 1 68 280.348 6
Hi High (pH 8-9.5) -0.86 2.27 -10.93 1 6 0 64 279.34 6
Lo Low (pH 4.5-6) -0.86 4.11 -93.26 3 6 2 70 281.356 6

Activity (Go SEA)

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