UCSF

ZINC39761601

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 33 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) 3.55 10.5 -29.33 2 9 0 115 508.073 11
Hi High (pH 8-9.5) 3.74 9.29 -64.24 1 9 -1 121 507.065 11

Activity (Go SEA)

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