UCSF

ZINC58015590

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2011 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) 4.46 8.94 -13.35 2 5 0 67 371.44 7
Lo Low (pH 4.5-6) 4.46 9.28 -28.45 3 5 1 69 372.448 7

Activity (Go SEA)

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