UCSF

ZINC36326547

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 16 Yes

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) 1.06 3.37 -37.03 2 4 1 46 227.328 2
Hi High (pH 8-9.5) 1.06 2.15 -6.92 1 4 0 42 226.32 2

Activity (Go SEA)

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