UCSF

ZINC36192274

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 17 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) 0.92 2.51 -38.58 4 5 1 66 243.375 5
Lo Low (pH 4.5-6) 0.92 1.44 -33.16 4 5 1 66 243.375 5
Lo Low (pH 4.5-6) 0.92 4.05 -95.21 5 5 2 67 244.383 5

Activity (Go SEA)

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