UCSF

ZINC00697172

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 37 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) 2.36 8.71 -23.67 1 10 0 110 530.647 9
Hi High (pH 8-9.5) 2.17 7.63 -51.63 0 10 -1 117 529.639 9

Activity (Go SEA)

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