UCSF

ZINC31943660

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 3.51 8.38 -17.88 2 3 0 44 330.284 5
Lo Low (pH 4.5-6) 3.51 8.81 -37.86 3 3 1 45 331.292 5

Activity (Go SEA)

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