UCSF

ZINC22145964

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 15 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) 1.78 6.15 -53.18 2 5 1 62 210.257 5
Hi High (pH 8-9.5) 1.78 3.62 -8.92 1 5 0 61 209.249 5

Activity (Go SEA)

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