UCSF

ZINC40076418

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 28 No

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) 2.99 5.96 -61.8 1 6 -1 90 445.289 6
Lo Low (pH 4.5-6) 2.99 5.21 -12.76 2 6 0 87 446.297 6

Activity (Go SEA)

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