UCSF

ZINC21171083

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 24 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) 4.31 13.23 -36.37 1 3 1 22 320.46 4
Mid Mid (pH 6-8) 4.31 12.22 -8.37 0 3 0 21 319.452 4

Activity (Go SEA)

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