UCSF

ZINC07585192

Substance Information

In ZINC since Heavy atoms Benign functionality
June 6th, 2006 27 No

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) 3.52 10.03 -39.56 2 5 1 54 378.512 9
Hi High (pH 8-9.5) 3.52 8.14 -14.46 1 5 0 53 377.504 9

Activity (Go SEA)

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