UCSF

ZINC03645889

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 22 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) -1.24 6.33 -110.09 3 6 0 99 306.293 5
Hi High (pH 8-9.5) -1.24 5.9 -68.79 2 6 -1 97 305.285 5
Mid Mid (pH 6-8) -1.24 4.31 -65.37 4 6 1 96 307.301 5

Activity (Go SEA)

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