UCSF

ZINC55935218

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2010 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) 2.57 9.06 -43.76 1 6 1 46 404.575 7
Hi High (pH 8-9.5) 2.57 6.79 -11.81 0 6 0 45 403.567 7

Activity (Go SEA)

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