UCSF

ZINC19665215

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 21 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) 2.42 4.38 -48.15 3 4 1 49 293.431 7
Lo Low (pH 4.5-6) 2.42 6.35 -126.89 4 4 2 51 294.439 7

Activity (Go SEA)

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