UCSF

ZINC34987162

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 37 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) 4.98 14.1 -13.54 1 5 0 62 497.683 10
Lo Low (pH 4.5-6) 4.98 15.29 -45.87 2 5 1 64 498.691 10

Activity (Go SEA)

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