UCSF

ZINC04690326

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2005 29 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) 2.09 15.13 -26.8 0 7 0 80 385.427 3
Hi High (pH 8-9.5) 2.09 15.34 -63.48 0 7 -1 82 384.419 3
Hi High (pH 8-9.5) 2.09 15.59 -21.9 1 7 0 83 385.427 3

Activity (Go SEA)

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