UCSF

ZINC01247770

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 30 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) 3.75 6.74 -42.97 0 6 -1 84 403.389 4
Ref Reference (pH 7) 3.75 6.77 -42.79 0 6 -1 84 403.389 4
Mid Mid (pH 6-8) 3.29 9.24 -9.75 1 6 0 81 404.397 4

Activity (Go SEA)

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