UCSF

ZINC40047689

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 35 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) 5.74 9.04 -60.41 2 6 -1 101 499.027 8
Lo Low (pH 4.5-6) 5.74 8.28 -13.93 3 6 0 98 500.035 8

Activity (Go SEA)

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