UCSF

ZINC38101253

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 14 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 3.4 -35.77 2 4 1 46 201.29 4
Mid Mid (pH 6-8) 0.33 1.93 -10.34 1 4 0 42 200.282 4

Activity (Go SEA)

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