UCSF

ZINC06096185

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 23 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) 4.88 13.6 -39.25 1 1 1 4 300.425 3
Mid Mid (pH 6-8) 4.88 11.36 -4.24 0 1 0 3 299.417 3

Activity (Go SEA)

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