UCSF

ZINC41587461

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.88 9.07 -11.36 0 5 0 56 373.408 3
Lo Low (pH 4.5-6) 3.88 11.92 -51.59 1 5 1 57 374.416 3

Activity (Go SEA)

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