UCSF

ZINC41527552

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 29 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) 2.49 9.28 -58.78 3 6 1 66 395.527 8
Mid Mid (pH 6-8) 2.49 7.07 -21.73 2 6 0 65 394.519 8

Activity (Go SEA)

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