UCSF

ZINC39031116

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 25 Yes

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) -0.04 -5.4 -81.72 9 7 2 134 362.511 10
Hi High (pH 8-9.5) -0.04 -6.74 -41.51 8 7 1 130 361.503 10

Activity (Go SEA)

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