UCSF

ZINC53616279

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.48 7.12 -15.75 3 5 0 78 380.831 4
Hi High (pH 8-9.5) 4.48 7.89 -44.51 2 5 -1 81 379.823 4

Activity (Go SEA)

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