UCSF

ZINC19687658

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 19 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) -1.14 1.51 -50.73 3 6 1 71 271.385 5
Hi High (pH 8-9.5) -1.14 0.82 -14.75 2 6 0 70 270.377 5
Mid Mid (pH 6-8) -1.14 3.14 -54.23 3 6 1 71 271.385 5

Activity (Go SEA)

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