UCSF

ZINC35725078

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 35 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) 4.41 8.83 -20.28 3 8 0 105 487.585 9
Hi High (pH 8-9.5) 4.59 7.18 -49.14 2 8 -1 112 486.577 9

Activity (Go SEA)

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