UCSF

ZINC67723206

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 24 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) 2.45 10.14 -90.69 3 4 2 42 329.488 4
Hi High (pH 8-9.5) 2.45 7.88 -36.67 2 4 1 41 328.48 4
Hi High (pH 8-9.5) 2.45 8.19 -36.45 2 4 1 41 328.48 4

Activity (Go SEA)

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