UCSF

ZINC18210689

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 20 No

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) 4.06 4.78 -8.16 2 4 0 65 302.38 2
Hi High (pH 8-9.5) 4.52 3.92 -44.5 1 4 -1 69 301.372 2

Activity (Go SEA)

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