UCSF

ZINC39226878

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 27 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) 4.47 11.55 -46.51 1 4 1 40 364.465 4
Hi High (pH 8-9.5) 4.47 9.29 -7.43 0 4 0 39 363.457 4

Activity (Go SEA)

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