UCSF

ZINC22142081

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.75 3.29 -44.92 1 5 -1 86 276.721 5
Mid Mid (pH 6-8) 2.75 3.36 -111.45 0 5 -2 88 275.713 5

Activity (Go SEA)

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