UCSF

ZINC16474361

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 37 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) 5.45 10.72 -17.11 2 7 0 88 497.595 9
Hi High (pH 8-9.5) 5.45 11.53 -45.06 1 7 -1 91 496.587 9

Activity (Go SEA)

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