UCSF

ZINC48839985

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 20 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) 0.88 2.48 -24.51 1 7 0 78 297.384 5
Hi High (pH 8-9.5) 0.70 1.75 -49.4 0 7 -1 85 296.376 5
Lo Low (pH 4.5-6) 0.88 4.63 -62.05 2 7 1 80 298.392 5

Activity (Go SEA)

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