UCSF

ZINC34988837

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 1.91 7.11 -40.77 1 3 1 25 247.362 4
Mid Mid (pH 6-8) 1.91 6.96 -38.77 1 3 1 25 247.362 4
Lo Low (pH 4.5-6) 1.91 9.35 -106.58 2 3 2 26 248.37 4

Activity (Go SEA)

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