UCSF

ZINC26297677

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 23 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) 3.29 9.34 -50.17 1 6 -1 73 348.477 5
Lo Low (pH 4.5-6) 2.57 9.25 -16.71 2 6 0 76 349.485 5

Activity (Go SEA)

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