UCSF

ZINC24887047

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 22 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) 3.56 7.86 -41.48 2 3 1 33 302.486 5
Lo Low (pH 4.5-6) 3.56 8.24 -83.36 3 3 2 34 303.494 5
Lo Low (pH 4.5-6) 3.56 10.17 -112.34 3 3 2 34 303.494 5

Activity (Go SEA)

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