UCSF

ZINC39548006

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 20 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) 2.79 6.88 -12.86 1 3 0 42 282.368 4
Lo Low (pH 4.5-6) 2.79 7.25 -36.91 2 3 1 43 283.376 4

Activity (Go SEA)

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