UCSF

ZINC05763005

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 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) 3.78 14.77 -18.14 1 7 0 82 501.523 9
Mid Mid (pH 6-8) 3.78 15.24 -41.06 2 7 1 84 502.531 9

Activity (Go SEA)

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