UCSF

ZINC40003838

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 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) 3.42 11.3 -66.85 1 8 0 91 476.577 9
Lo Low (pH 4.5-6) 3.42 10.54 -46.98 2 8 1 89 477.585 9

Activity (Go SEA)

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