UCSF

ZINC20167026

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 33 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) 3.80 10.07 -63.01 0 6 -1 73 447.555 7
Mid Mid (pH 6-8) 3.80 12.4 -75.75 1 6 0 74 448.563 7

Activity (Go SEA)

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