UCSF

ZINC21784230

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 29 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) 5.41 9.92 -42.71 1 5 -1 78 404.515 4
Mid Mid (pH 6-8) 4.95 11.04 -11.86 2 5 0 75 405.523 4

Activity (Go SEA)

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