UCSF

ZINC44472365

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2010 17 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) 1.82 5.97 -33.87 2 3 1 33 236.383 8
Hi High (pH 8-9.5) 1.82 6.6 -35.87 2 3 1 29 236.383 8
Lo Low (pH 4.5-6) 1.82 7.66 -115.82 3 3 2 34 237.391 8

Activity (Go SEA)

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