UCSF

ZINC37814008

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 Yes

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) 0.83 7.75 -81.95 3 5 2 56 280.416 7
Mid Mid (pH 6-8) 0.83 7.22 -38.92 2 5 1 55 279.408 7

Activity (Go SEA)

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