UCSF

ZINC18255036

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 35 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) 5.85 10.81 -57.78 1 8 -1 113 489.529 8
Ref Reference (pH 7) 5.85 11.22 -58.26 1 8 -1 113 489.529 8
Lo Low (pH 4.5-6) 5.36 10.66 -95.54 0 8 -2 112 488.521 9

Activity (Go SEA)

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