UCSF

ZINC47277851

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2010 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) 2.47 10.72 -15.24 0 6 0 64 385.471 4
Lo Low (pH 4.5-6) 2.47 11.18 -44.44 1 6 1 65 386.479 4

Activity (Go SEA)

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