UCSF

ZINC35101887

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 14 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) 0.39 0.42 -43.85 4 4 1 66 201.29 6
Hi High (pH 8-9.5) 0.39 -0.93 -9.93 3 4 0 61 200.282 6

Activity (Go SEA)

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