UCSF

ZINC37144195

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 1.12 4.59 -54.67 4 4 1 60 295.428 6
Hi High (pH 8-9.5) 1.12 2.38 -15.39 3 4 0 59 294.42 6

Activity (Go SEA)

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