UCSF

ZINC39679414

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 28 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) 4.31 12.08 -47.32 1 5 -1 74 373.432 4
Lo Low (pH 4.5-6) 4.31 10.14 -13.59 2 5 0 71 374.44 4

Activity (Go SEA)

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