UCSF

ZINC35647915

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 24 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) 5.89 11.27 -13.33 1 3 0 42 336.46 4
Mid Mid (pH 6-8) 5.89 10.61 -44.81 0 3 -1 44 335.452 4

Activity (Go SEA)

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