UCSF

ZINC28182836

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 33 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) 6.40 15.22 -39.84 1 5 0 63 446.591 10
Mid Mid (pH 6-8) 6.40 14.42 -51.34 2 5 1 60 447.599 10

Activity (Go SEA)

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