UCSF

ZINC06118208

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 22 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) 4.91 6.77 -58.32 2 4 -1 81 293.298 3
Hi High (pH 8-9.5) 4.91 7.52 -126.61 1 4 -2 83 292.29 3

Activity (Go SEA)

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