UCSF

ZINC43458765

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 1.76 4.62 -43.48 4 4 1 63 258.292 5
Hi High (pH 8-9.5) 1.76 2.55 -6.5 3 4 0 62 257.284 5

Activity (Go SEA)

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