UCSF

ZINC26974098

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 25 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) 7.67 15.94 -109.79 2 2 2 9 352.651 12
Hi High (pH 8-9.5) 7.67 15.53 -27.7 1 2 1 8 351.643 12

Activity (Go SEA)

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