UCSF

ZINC19999373

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 31 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) 2.02 8.48 -63.49 1 7 0 87 427.476 9
Hi High (pH 8-9.5) 2.02 6.27 -54.8 0 7 -1 86 426.468 9

Activity (Go SEA)

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