UCSF

ZINC19261028

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 12 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) -1.92 -2.54 -52.62 4 5 1 85 191.232 3
Hi High (pH 8-9.5) -1.92 -3.13 -9.36 3 5 0 84 190.224 3

Activity (Go SEA)

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