UCSF

ZINC40956669

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 28 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) 0.59 8.25 -75.11 1 9 -1 127 405.408 7
Hi High (pH 8-9.5) 0.59 9.06 -120.76 0 9 -2 130 404.4 7

Activity (Go SEA)

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