UCSF

ZINC42404301

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 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) -0.74 2.05 -91.08 5 6 2 81 260.382 9
Hi High (pH 8-9.5) -0.74 0.09 -55.05 4 6 1 80 259.374 9

Activity (Go SEA)

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