UCSF

ZINC07775506

Substance Information

In ZINC since Heavy atoms Benign functionality
June 16th, 2006 29 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) 2.08 8.32 -23.6 2 7 0 95 392.459 7
Hi High (pH 8-9.5) 2.54 5.6 -58.09 1 7 -1 98 391.451 7

Activity (Go SEA)

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