UCSF

ZINC33761928

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 0.46 6.2 -70.64 2 8 0 107 397.431 7
Hi High (pH 8-9.5) 0.46 3.67 -51.94 1 8 -1 106 396.423 7
Lo Low (pH 4.5-6) 0.46 4.91 -60.79 3 8 1 104 398.439 7

Activity (Go SEA)

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