UCSF

ZINC40100945

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 30 No

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) 2.26 5.77 -63.7 1 7 -1 93 409.462 8
Lo Low (pH 4.5-6) 2.26 5.08 -15.5 2 7 0 90 410.47 8

Activity (Go SEA)

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