UCSF

ZINC43252789

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 1.31 1.91 -54.67 4 4 1 60 302.851 4
Hi High (pH 8-9.5) 1.31 3.78 -44.05 4 4 1 60 302.851 4
Hi High (pH 8-9.5) 1.31 1.74 -10.31 3 4 0 58 301.843 4

Activity (Go SEA)

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