UCSF

ZINC03290177

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 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) 4.56 -3.83 -10.09 1 4 0 59 364.879 4
Hi High (pH 8-9.5) 4.56 -3.26 -40.64 0 4 -1 61 363.871 4

Activity (Go SEA)

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