UCSF

ZINC19851639

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 2.41 10.24 -20.68 1 6 0 73 371.491 4
Hi High (pH 8-9.5) 2.59 9.16 -54.31 0 6 -1 79 370.483 4

Activity (Go SEA)

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