UCSF

ZINC35324443

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 24 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) 3.32 10.99 -10.43 1 4 0 47 341.773 2
Lo Low (pH 4.5-6) 3.32 11.44 -47.25 2 4 1 48 342.781 2

Activity (Go SEA)

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