UCSF

ZINC38003892

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 16 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) 2.08 3.65 -9.22 1 4 0 55 241.209 6
Hi High (pH 8-9.5) 2.26 1.71 -36.85 0 4 -1 62 240.201 6

Activity (Go SEA)

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