UCSF

ZINC06706696

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 22 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) 2.08 4.05 -39.91 0 6 -1 91 317.346 5
Mid Mid (pH 6-8) 2.08 3.92 -14.06 1 6 0 88 318.354 5

Activity (Go SEA)

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