UCSF

ZINC00606322

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 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) 3.48 0.05 -16.31 1 8 0 90 392.463 6
Mid Mid (pH 6-8) -0.26 0.31 -43.25 2 8 1 92 393.471 6

Activity (Go SEA)

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