UCSF

ZINC28461532

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 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) 5.42 12.88 -108.39 0 5 -2 97 368.514 16
Lo Low (pH 4.5-6) 5.42 11.76 -61.29 1 5 -1 94 369.522 16

Activity (Go SEA)

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