UCSF

ZINC12311391

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2008 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) 5.62 -3.22 -17.85 2 7 0 102 494.613 13
Hi High (pH 8-9.5) 5.62 -2.64 -50.86 1 7 -1 104 493.605 13

Activity (Go SEA)

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