UCSF

ZINC43501174

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 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) -0.33 -0.24 -42.52 4 4 1 63 212.317 2
Hi High (pH 8-9.5) -0.33 0.6 -35.91 4 4 1 60 212.317 2
Lo Low (pH 4.5-6) -0.33 1.96 -104.14 5 4 2 64 213.325 2

Activity (Go SEA)

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