UCSF

ZINC35346814

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 19 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) 1.62 3.41 -41.93 4 5 1 77 286.421 7
Hi High (pH 8-9.5) 1.62 1.29 -7.61 3 5 0 75 285.413 7

Activity (Go SEA)

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