UCSF

ZINC35622706

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 26 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) 5.07 10.88 -7.73 1 5 0 51 344.418 4
Lo Low (pH 4.5-6) 5.07 11.19 -29.54 2 5 1 53 345.426 4

Activity (Go SEA)

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