UCSF

ZINC20217816

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) 0.85 5.98 -46.42 1 4 1 38 254.741 1
Hi High (pH 8-9.5) 0.85 3.97 -6.75 0 4 0 36 253.733 1

Activity (Go SEA)

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