UCSF

ZINC40143556

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 31 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) 6.30 14.9 -52.3 2 4 1 46 475.465 6
Hi High (pH 8-9.5) 6.36 13.47 -71.17 1 4 0 53 474.457 6

Activity (Go SEA)

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