UCSF

ZINC22170475

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 12 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) -0.32 -2.29 -10.64 2 5 0 73 194.256 1
Mid Mid (pH 6-8) -0.32 -1.62 -39.33 1 5 -1 70 193.248 1

Activity (Go SEA)

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