UCSF

ZINC04172397

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 37 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) 4.75 11.46 -53.71 4 7 1 93 525.739 16
Mid Mid (pH 6-8) 4.75 11.88 -85.39 5 7 2 94 526.747 16

Activity (Go SEA)

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