UCSF

ZINC29896351

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 24 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) 2.32 6.9 -21.01 2 5 0 75 377.516 6
Hi High (pH 8-9.5) 2.78 5.85 -52.04 1 5 -1 78 376.508 6

Activity (Go SEA)

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