UCSF

ZINC35017218

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 25 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) 2.68 6.46 -13.64 3 8 0 116 385.829 7
Mid Mid (pH 6-8) 1.93 5.37 -39.54 2 8 -1 123 384.821 6

Activity (Go SEA)

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