UCSF

ZINC20223159

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.87 7.12 -63.86 3 3 1 45 252.341 3
Lo Low (pH 4.5-6) 2.87 7.52 -101.79 4 3 2 47 253.349 3

Activity (Go SEA)

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