UCSF

ZINC42580650

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 16 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) 3.27 6.86 -30.78 2 2 1 16 225.4 4
Lo Low (pH 4.5-6) 3.27 7.99 -108.75 3 2 2 21 226.408 4
Lo Low (pH 4.5-6) 3.27 5.92 -35.69 2 2 1 20 225.4 4

Activity (Go SEA)

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