UCSF

ZINC23361573

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 31 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) 3.97 10.09 -36.08 2 6 1 57 424.565 5
Lo Low (pH 4.5-6) 3.97 11.03 -112.47 3 6 2 62 425.573 5

Activity (Go SEA)

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