UCSF

ZINC43460991

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 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) 2.92 6.63 -10.57 1 3 0 42 288.576 4
Hi High (pH 8-9.5) 2.92 6.17 -35.28 0 3 -1 40 287.568 4

Activity (Go SEA)

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