UCSF

ZINC05737263

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 16 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) 0.07 3.11 -9.82 2 6 0 84 238.272 5
Hi High (pH 8-9.5) 0.07 2.91 -41.11 1 6 -1 82 237.264 5

Activity (Go SEA)

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