UCSF

ZINC36627933

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 29 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) 4.16 12.99 -43.65 2 4 1 57 402.543 5
Mid Mid (pH 6-8) 4.16 10.72 -7.92 1 4 0 56 401.535 5

Activity (Go SEA)

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