UCSF

ZINC35663952

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) 2.72 8.82 -48.79 1 5 -1 89 274.344 8
Lo Low (pH 4.5-6) 2.72 6.85 -10.31 2 5 0 86 275.352 8

Activity (Go SEA)

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