UCSF

ZINC06116707

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.72 6.48 -4.9 1 1 0 20 239.101 1
Hi High (pH 8-9.5) 4.72 7.18 -39.27 0 1 -1 23 238.093 1

Activity (Go SEA)

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