UCSF

ZINC11640047

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2008 25 No

Download: MOL2 SDF SMILES Flexibase

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) 5.51 9.11 -41.27 0 4 -1 47 391.303 4
Hi High (pH 8-9.5) 6.46 7.21 -49.77 0 4 -1 52 391.303 3

Activity (Go SEA)

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