UCSF

ZINC20469870

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 21 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) 4.41 5.95 -48.31 3 3 1 50 320.199 3
Mid Mid (pH 6-8) 4.41 5.55 -8.71 2 3 0 48 319.191 3

Activity (Go SEA)

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