UCSF

ZINC21984020

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 15 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) 2.66 4.66 -11.3 1 3 0 47 202.209 2
Hi High (pH 8-9.5) 2.66 5.28 -40.1 0 3 -1 49 201.201 2

Activity (Go SEA)

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