UCSF

ZINC43284570

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 19 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) 1.27 1.34 -44.08 5 4 1 74 347.302 4
Hi High (pH 8-9.5) 1.27 0.46 -8.9 4 4 0 72 346.294 4
Lo Low (pH 4.5-6) 1.27 3.18 -114.78 6 4 2 75 348.31 4

Activity (Go SEA)

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