UCSF

ZINC18021065

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 36 No

Download: MOL2 SDF SMILES Flexibase

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) 4.28 12.84 -14.87 0 8 0 79 505.596 6
Ref Reference (pH 7) 4.28 12.99 -18.58 0 8 0 79 505.596 6
Mid Mid (pH 6-8) 4.28 13.61 -91.29 1 8 0 81 506.604 6
Mid Mid (pH 6-8) 4.28 13.75 -73.07 1 8 0 81 506.604 6

Activity (Go SEA)

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