UCSF

ZINC00582863

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 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) 2.07 5.4 -16.29 1 5 0 66 330.409 4
Mid Mid (pH 6-8) 2.07 5.47 -52.33 0 5 -1 69 329.401 4

Activity (Go SEA)

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