UCSF

ZINC16490835

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 26 No

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) 5.54 9.37 -48.25 0 4 -1 62 340.358 3
Mid Mid (pH 6-8) 5.54 8.5 -9.96 1 4 0 59 341.366 3
Mid Mid (pH 6-8) 5.54 9.01 -10.09 1 4 0 59 341.366 3

Activity (Go SEA)

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