UCSF

ZINC39228950

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 29 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) 3.20 11.43 -13.04 1 5 0 58 384.483 4
Lo Low (pH 4.5-6) 3.20 11.85 -41.59 2 5 1 59 385.491 4
Lo Low (pH 4.5-6) 3.20 12.31 -96.35 3 5 2 61 386.499 4
Lo Low (pH 4.5-6) 3.20 11.88 -40.48 2 5 1 59 385.491 4

Activity (Go SEA)

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