UCSF

ZINC40092872

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 39 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) 6.67 10.57 -63.03 2 7 -1 110 536.689 11
Lo Low (pH 4.5-6) 6.67 9.81 -13.53 3 7 0 107 537.697 11

Activity (Go SEA)

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