UCSF

ZINC19932569

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 30 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) 1.78 4.71 -54.26 0 8 -1 106 448.546 6
Mid Mid (pH 6-8) 1.78 4.66 -19.52 1 8 0 104 449.554 6

Activity (Go SEA)

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