UCSF

ZINC37039825

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.36 5.13 -155.75 5 4 3 40 259.462 9
Hi High (pH 8-9.5) 0.36 0.74 -42.01 3 4 1 37 257.446 9
Mid Mid (pH 6-8) 0.36 2.86 -80.66 4 4 2 39 258.454 9

Activity (Go SEA)

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