UCSF

ZINC20653841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 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) 3.57 7.72 -5.63 0 2 0 16 274.433 6
Mid Mid (pH 6-8) 3.57 9.87 -34.22 1 2 1 17 275.441 6

Activity (Go SEA)

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