UCSF

ZINC35892952

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 32 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) 5.34 14.74 -41.17 1 5 1 37 456.724 9
Hi High (pH 8-9.5) 5.34 12.62 -6.01 0 5 0 35 455.716 9
Lo Low (pH 4.5-6) 5.34 16.95 -129.09 2 5 2 38 457.732 9

Activity (Go SEA)

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