UCSF

ZINC21784009

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 22 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) 1.57 -0.69 -44.69 3 7 -1 118 318.334 2
Mid Mid (pH 6-8) 1.11 0.42 -16.98 4 7 0 115 319.342 2

Activity (Go SEA)

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