UCSF

ZINC34989867

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 1.76 3.92 -42.14 3 4 1 62 250.318 3
Hi High (pH 8-9.5) 1.76 2.81 -44.45 1 4 -1 64 248.302 3
Hi High (pH 8-9.5) 1.76 4.85 -58.9 2 4 0 65 249.31 3
Hi High (pH 8-9.5) 1.76 1.88 -11.05 2 4 0 61 249.31 3

Activity (Go SEA)

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