UCSF

ZINC19897768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 31 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) 4.95 10.31 -52.16 1 5 -1 87 433.609 6
Lo Low (pH 4.5-6) 4.95 9.19 -12.66 2 5 0 84 434.617 6

Activity (Go SEA)

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