UCSF

ZINC33715267

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 35 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) 3.05 10.39 -25.83 2 8 0 101 494.617 11
Hi High (pH 8-9.5) 2.86 9.32 -55.76 1 8 -1 107 493.609 11

Activity (Go SEA)

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