UCSF

ZINC19876409

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 17 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) 0.92 5.7 -49.88 2 4 1 52 236.291 4
Mid Mid (pH 6-8) 0.92 4.57 -10 1 4 0 48 235.283 4

Activity (Go SEA)

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