UCSF

ZINC23281690

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 21 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) 3.63 10.45 -37.41 1 3 1 21 285.411 3
Mid Mid (pH 6-8) 3.63 8.13 -4.82 0 3 0 20 284.403 3

Activity (Go SEA)

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