UCSF

ZINC20874120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 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) 4.52 10.42 -41.15 2 4 1 38 371.545 12
Mid Mid (pH 6-8) 4.52 11.25 -38.28 2 4 1 35 371.545 12
Lo Low (pH 4.5-6) 4.52 12.77 -119.99 3 4 2 40 372.553 12

Activity (Go SEA)

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