UCSF

ZINC36976759

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 2.32 6.14 -39.63 3 3 1 46 247.362 3
Hi High (pH 8-9.5) 2.32 5.94 -7.35 2 3 0 41 246.354 3

Activity (Go SEA)

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