UCSF

ZINC22257670

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 31 No

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) 5.98 10.96 -42.56 0 5 -1 64 477.027 10
Lo Low (pH 4.5-6) 5.52 12.06 -15.03 1 5 0 61 478.035 10

Activity (Go SEA)

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