UCSF

ZINC12084553

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2008 23 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) 3.62 -1.09 -8.75 3 4 0 68 333.363 2
Lo Low (pH 4.5-6) 3.62 -1.05 -33.86 4 4 1 69 334.371 2

Activity (Go SEA)

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