UCSF

ZINC40076722

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 31 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) 4.40 7.86 -58.56 1 6 -1 90 442.919 10
Lo Low (pH 4.5-6) 4.40 7.11 -13.69 2 6 0 87 443.927 10

Activity (Go SEA)

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