UCSF

ZINC40184765

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.36 9.6 -12.29 1 5 0 60 394.837 5
Lo Low (pH 4.5-6) 3.36 10.43 -27.63 2 5 1 61 395.845 5

Activity (Go SEA)

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