UCSF

ZINC20898999

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 27 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) 2.00 6.74 -47.24 1 7 -1 90 385.469 2
Lo Low (pH 4.5-6) 1.54 7.79 -14.21 2 7 0 87 386.477 2

Activity (Go SEA)

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