UCSF

ZINC20364188

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 17 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) 2.14 6.13 -41.39 3 3 1 46 235.351 6
Hi High (pH 8-9.5) 2.14 4.89 -10.5 2 3 0 41 234.343 6

Activity (Go SEA)

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