UCSF

ZINC39693951

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 38 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) 3.25 12.1 -100.33 4 7 2 74 519.734 7
Mid Mid (pH 6-8) 3.25 9.74 -53.36 3 7 1 72 518.726 7

Activity (Go SEA)

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