UCSF

ZINC31920891

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 16 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) 4.82 8.93 -6.11 0 2 0 17 301.615 2
Lo Low (pH 4.5-6) 4.82 9.33 -27.14 1 2 1 19 302.623 2

Activity (Go SEA)

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