UCSF

ZINC03639138

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 18 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) 2.28 6.67 -37.1 1 4 1 32 252.334 6
Hi High (pH 8-9.5) 2.28 4.17 -6.81 0 4 0 31 251.326 6

Activity (Go SEA)

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