UCSF

ZINC42920580

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 29 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) 3.34 7.93 -43.24 0 7 -1 92 416.364 4
Lo Low (pH 4.5-6) 3.34 8.07 -18.05 1 7 0 94 417.372 4

Activity (Go SEA)

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