UCSF

ZINC33628424

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2009 36 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) 5.82 14.67 -44.57 0 8 -1 119 498.54 5
Lo Low (pH 4.5-6) 5.82 13.54 -24.65 1 8 0 116 499.548 5

Activity (Go SEA)

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