UCSF

ZINC36222192

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 3.41 8.66 -26.29 3 4 1 54 268.34 2
Mid Mid (pH 6-8) 3.41 8.25 -11.34 2 4 0 53 267.332 2

Activity (Go SEA)

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