UCSF

ZINC19831568

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 27 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) 4.64 11.82 -37.76 1 3 1 17 365.541 5
Mid Mid (pH 6-8) 4.64 11.86 -33.96 1 3 1 17 365.541 5
Mid Mid (pH 6-8) 4.64 9.55 -4.36 0 3 0 16 364.533 5

Activity (Go SEA)

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