UCSF

ZINC07696685

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2006 23 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) 3.85 8.72 -43.13 2 4 1 43 398.346 8
Mid Mid (pH 6-8) 3.85 6.45 -11.69 1 4 0 42 397.338 8

Activity (Go SEA)

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