UCSF

ZINC36190162

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 3.55 10.62 -88.17 3 3 2 24 291.483 6
Mid Mid (pH 6-8) 3.55 8.46 -36.61 2 3 1 23 290.475 6

Activity (Go SEA)

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