UCSF

ZINC40113551

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 30 No

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) 4.80 12.33 -11.48 1 5 0 80 416.55 4
Hi High (pH 8-9.5) 4.98 10.82 -44.05 0 5 -1 86 415.542 4

Activity (Go SEA)

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