UCSF

ZINC04997443

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 25 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) 4.33 8.11 -41.53 0 5 -1 82 330.367 5
Mid Mid (pH 6-8) 4.33 -0.23 -16.72 1 5 0 79 331.375 5

Activity (Go SEA)

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