UCSF

ZINC35083907

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 15 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) 0.93 5.86 -55.91 1 4 0 57 226.301 3
Hi High (pH 8-9.5) 0.93 3.61 -49.3 0 4 -1 56 225.293 3

Activity (Go SEA)

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