UCSF

ZINC18200842

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 20 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) 1.10 5.16 -26.55 2 6 0 88 290.348 5
Hi High (pH 8-9.5) 1.10 5 -51.19 1 6 -1 86 289.34 5

Activity (Go SEA)

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