UCSF

ZINC36222018

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 3.79 8.78 -9.64 2 3 0 43 302.175 1
Mid Mid (pH 6-8) 3.79 9.19 -26.71 3 3 1 45 303.183 1

Activity (Go SEA)

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