UCSF

ZINC35703601

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 29 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) 3.43 11.01 -28.56 4 5 1 63 393.555 5
Mid Mid (pH 6-8) 3.43 8.79 -6.47 3 5 0 62 392.547 5

Activity (Go SEA)

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