UCSF

ZINC37108361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 1.73 5.52 -115.75 4 2 2 32 200.37 3
Hi High (pH 8-9.5) 1.73 3.81 -39.16 3 2 1 31 199.362 3
Hi High (pH 8-9.5) 1.73 5.42 -28.29 3 2 1 30 199.362 3

Activity (Go SEA)

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