UCSF

ZINC40003828

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 37 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) 3.03 11.19 -68.27 1 9 0 101 506.603 10
Lo Low (pH 4.5-6) 3.03 10.43 -50.26 2 9 1 98 507.611 10

Activity (Go SEA)

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