UCSF

ZINC20198719

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) 2.05 3.14 -43.97 4 4 1 66 288.367 8
Hi High (pH 8-9.5) 2.05 2 -11.92 3 4 0 62 287.359 8

Activity (Go SEA)

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