UCSF

ZINC36820274

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 12 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) 2.25 4.75 -33.08 1 3 1 30 206.722 4
Hi High (pH 8-9.5) 2.25 2.44 -3 0 3 0 29 205.714 4

Activity (Go SEA)

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