UCSF

ZINC06786476

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 27 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) 4.39 10.61 -12.61 1 4 0 63 373.433 4
Hi High (pH 8-9.5) 4.85 9.53 -46.31 0 4 -1 66 372.425 4
Hi High (pH 8-9.5) 4.85 10.03 -51.24 0 4 -1 66 372.425 4

Activity (Go SEA)

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