UCSF

ZINC05761103

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 24 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) 6.53 9.39 -7.43 1 3 0 47 326.436 8
Hi High (pH 8-9.5) 6.53 10.17 -49.35 0 3 -1 49 325.428 8

Activity (Go SEA)

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