UCSF

ZINC19833516

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 11 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) -1.09 2.59 -47.64 2 4 1 61 156.209 4
Hi High (pH 8-9.5) -1.09 1.14 -11.75 1 4 0 56 155.201 4

Activity (Go SEA)

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