UCSF

ZINC19817413

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 31 Yes

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) 4.13 13.34 -16.9 1 7 0 76 418.497 5
Lo Low (pH 4.5-6) 4.13 13.76 -41.6 2 7 1 78 419.505 5

Activity (Go SEA)

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