UCSF

ZINC42765002

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 0.71 5.6 -12.62 0 4 0 47 277.29 8
Lo Low (pH 4.5-6) 0.71 7.6 -48.36 1 4 1 49 278.298 8

Activity (Go SEA)

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