UCSF

ZINC39229082

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 28 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) 3.70 10.94 -12.92 1 5 0 58 372.472 5
Lo Low (pH 4.5-6) 3.70 11.49 -36.13 2 5 1 59 373.48 5
Lo Low (pH 4.5-6) 3.70 11.94 -94.25 3 5 2 61 374.488 5
Lo Low (pH 4.5-6) 3.70 11.38 -42.97 2 5 1 59 373.48 5

Activity (Go SEA)

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