UCSF

ZINC27895023

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 42 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) 7.28 18.03 -217.35 8 6 4 85 586.95 29
Hi High (pH 8-9.5) 7.28 16.67 -152.04 7 6 3 80 585.942 29

Activity (Go SEA)

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