UCSF

ZINC03921024

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2005 20 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) 1.60 6.03 -55.42 1 6 -1 95 287.276 2
Hi High (pH 8-9.5) 1.66 3.58 -135.58 0 6 -2 102 286.268 2
Lo Low (pH 4.5-6) 1.60 3.56 -27.59 2 6 0 92 288.284 2

Activity (Go SEA)

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