UCSF

ZINC34556842

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 31 No

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) -0.87 8.74 -57.03 2 9 -1 122 429.497 8
Mid Mid (pH 6-8) -0.87 9.46 -49.91 3 9 0 126 430.505 8

Activity (Go SEA)

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