UCSF

ZINC33691099

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 3.34 9.27 -25.42 2 8 0 101 494.617 10
Hi High (pH 8-9.5) 3.16 7.98 -62.69 1 8 -1 107 493.609 10

Activity (Go SEA)

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