UCSF

ZINC39856442

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.66 13.38 -18.55 1 4 0 51 392.524 6
Hi High (pH 8-9.5) 5.85 10.99 -47.87 0 4 -1 58 391.516 6

Activity (Go SEA)

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