UCSF

ZINC34969867

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 5.61 11.79 -7.37 1 5 0 53 455.687 11
Mid Mid (pH 6-8) 5.61 14.03 -48.16 2 5 1 54 456.695 11

Activity (Go SEA)

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