UCSF

ZINC48606730

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 18 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) 0.95 5.28 -11.06 1 4 0 53 242.278 3
Hi High (pH 8-9.5) 0.95 6.29 -56.36 0 4 -1 56 241.27 3

Activity (Go SEA)

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