UCSF

ZINC43214532

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 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) 5.26 10.24 -11.36 1 5 0 69 441.543 7
Lo Low (pH 4.5-6) 5.26 10.64 -31.6 2 5 1 70 442.551 7

Activity (Go SEA)

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