UCSF

ZINC15071343

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 29 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) 2.78 10.86 -52.34 1 5 1 41 399.603 6
Lo Low (pH 4.5-6) 2.78 13.4 -167.31 3 5 3 43 401.619 6
Lo Low (pH 4.5-6) 2.78 11.02 -42.89 1 5 1 41 399.603 6

Activity (Go SEA)

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