UCSF

ZINC35291694

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 29 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) 2.44 -1.57 -20.22 3 9 0 134 434.499 8
Hi High (pH 8-9.5) 2.44 -1.49 -47.29 2 9 -1 136 433.491 8

Activity (Go SEA)

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