UCSF

ZINC35430505

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 28 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) 3.73 10.74 -12.14 1 5 0 63 413.568 5
Lo Low (pH 4.5-6) 3.73 11.22 -39.79 2 5 1 65 414.576 5

Activity (Go SEA)

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