UCSF

ZINC19789088

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) -1.06 0.77 -57 3 5 1 74 271.362 3
Hi High (pH 8-9.5) -1.06 0.45 -9.52 2 5 0 73 270.354 3

Activity (Go SEA)

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