UCSF

ZINC20192471

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 20 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) 0.86 2.89 -47.92 3 5 1 64 283.323 8
Mid Mid (pH 6-8) 0.86 1.58 -8.93 2 5 0 60 282.315 8

Activity (Go SEA)

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