UCSF

ZINC19846822

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 18 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) 2.68 7.57 -48.24 2 4 1 57 246.334 6
Hi High (pH 8-9.5) 2.68 5.26 -14.64 1 4 0 56 245.326 6

Activity (Go SEA)

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