UCSF

ZINC22145179

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 25 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) 3.24 9.79 -42.88 1 4 1 34 343.422 6
Mid Mid (pH 6-8) 3.24 9.82 -37.95 1 4 1 34 343.422 6
Mid Mid (pH 6-8) 3.24 7.5 -6.79 0 4 0 33 342.414 6

Activity (Go SEA)

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