UCSF

ZINC40099928

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 32 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) 1.92 5.17 -58.87 1 8 -1 108 444.435 8
Lo Low (pH 4.5-6) 1.92 4.41 -15.44 2 8 0 106 445.443 8

Activity (Go SEA)

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