UCSF

ZINC35074931

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 28 No

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) 3.88 9.72 -51.91 1 4 -1 77 387.54 4
Lo Low (pH 4.5-6) 3.88 7.75 -11.71 2 4 0 75 388.548 4

Activity (Go SEA)

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