UCSF

ZINC37822743

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 0.86 4.72 -48.19 3 4 1 61 248.35 5
Hi High (pH 8-9.5) 0.86 4.67 -8.22 2 4 0 59 247.342 5
Lo Low (pH 4.5-6) 0.86 5.17 -94.22 4 4 2 62 249.358 5

Activity (Go SEA)

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