UCSF

ZINC39229821

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 24 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) 2.02 6.42 -38.05 3 6 1 71 327.408 4
Hi High (pH 8-9.5) 2.02 5.18 -11.99 2 6 0 66 326.4 4

Activity (Go SEA)

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