UCSF

ZINC19691031

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 24 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) 2.39 5.7 -38.2 1 6 1 56 330.408 5
Mid Mid (pH 6-8) 2.39 7.77 -40.35 1 6 1 56 330.408 5
Mid Mid (pH 6-8) 2.39 5.3 -7.94 0 6 0 55 329.4 5

Activity (Go SEA)

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