UCSF

ZINC40127008

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 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) 3.91 6.13 -57.13 2 6 -1 99 434.855 6
Lo Low (pH 4.5-6) 3.91 5.37 -15.3 3 6 0 96 435.863 6

Activity (Go SEA)

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