UCSF

ZINC05563552

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 26 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) 5.37 10.34 -20.68 2 5 0 71 386.908 6
Mid Mid (pH 6-8) 5.37 10.18 -48 1 5 -1 69 385.9 6

Activity (Go SEA)

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