UCSF

ZINC20319303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 24 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) -0.77 4.41 -67.51 0 9 -1 99 331.356 4
Mid Mid (pH 6-8) -0.77 6.69 -87.95 1 9 0 101 332.364 4

Activity (Go SEA)

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