UCSF

ZINC36634779

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 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) 4.75 12.84 -28.44 1 5 0 64 425.513 5
Lo Low (pH 4.5-6) 4.75 13.28 -41.82 2 5 1 65 426.521 5

Activity (Go SEA)

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