UCSF

ZINC23990250

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2009 24 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) 1.68 3.04 -11.39 1 6 0 69 340.305 3
Hi High (pH 8-9.5) 2.13 2.24 -42.59 0 6 -1 72 339.297 3

Activity (Go SEA)

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