UCSF

ZINC22670225

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 33 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) 3.09 8.34 -21.57 0 7 0 80 492.956 7
Mid Mid (pH 6-8) 3.09 10.63 -72.14 1 7 1 81 493.964 7

Activity (Go SEA)

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