UCSF

ZINC33682882

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 3.53 9.35 -24.62 2 7 0 77 467.57 4
Mid Mid (pH 6-8) 3.53 9.74 -46.34 3 7 1 79 468.578 4

Activity (Go SEA)

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