UCSF

ZINC35268716

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 30 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) 3.95 8.64 -30.43 1 7 0 92 442.566 5
Hi High (pH 8-9.5) 4.14 6.73 -50.12 0 7 -1 99 441.558 5

Activity (Go SEA)

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