UCSF

ZINC40165633

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 23 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 8.73 -42.02 2 5 1 59 334.827 4
Hi High (pH 8-9.5) 2.79 7.64 -5.33 1 5 0 54 333.819 4
Lo Low (pH 4.5-6) 2.79 9.06 -85.59 3 5 2 60 335.835 4

Activity (Go SEA)

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