UCSF

ZINC33817686

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 29 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) 3.37 5.89 -18.99 3 6 0 112 408.535 9
Mid Mid (pH 6-8) 3.37 7.49 -27.41 3 6 0 112 408.535 9

Activity (Go SEA)

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