UCSF

ZINC39856479

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 27 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) 5.12 12.64 -20.12 1 4 0 51 398.915 6
Hi High (pH 8-9.5) 5.31 10.25 -47.41 0 4 -1 58 397.907 6

Activity (Go SEA)

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