UCSF

ZINC22455105

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 17 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) 1.66 4.69 -42.05 1 4 1 26 237.323 5
Mid Mid (pH 6-8) 1.66 4.82 -39.79 1 4 1 26 237.323 5

Activity (Go SEA)

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