UCSF

ZINC42588895

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 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) 3.35 7.8 -39.05 3 2 1 31 253.797 5
Hi High (pH 8-9.5) 3.35 7.43 -1.33 2 2 0 29 252.789 5

Activity (Go SEA)

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