UCSF

ZINC20217512

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 21 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) 0.75 3.97 -42.3 4 5 1 63 295.382 4
Hi High (pH 8-9.5) 0.75 3.69 -40.44 4 5 1 63 295.382 4

Activity (Go SEA)

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