UCSF

ZINC21810721

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 33 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) 4.26 11.49 -47.45 2 7 1 72 455.623 6
Hi High (pH 8-9.5) 4.26 9.17 -10 1 7 0 71 454.615 6

Activity (Go SEA)

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