UCSF

ZINC43328071

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 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) 9.82 23.32 -6.06 0 2 0 26 492.836 23
Lo Low (pH 4.5-6) 9.82 23.67 -31.24 1 2 1 27 493.844 23

Activity (Go SEA)

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