UCSF

ZINC33475699

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 34 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) -1.16 12.1 -32.81 3 8 1 106 451.51 5
Lo Low (pH 4.5-6) -1.16 12.54 -87.75 4 8 2 108 452.518 5

Activity (Go SEA)

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