UCSF

ZINC19271624

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) 2.93 3.74 -52.31 5 4 1 77 257.313 3
Hi High (pH 8-9.5) 2.93 4.59 -88.66 4 4 0 80 256.305 3

Activity (Go SEA)

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