UCSF

ZINC37025081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 1.45 6.25 -42.91 3 2 1 37 230.331 5
Hi High (pH 8-9.5) 1.45 5.92 -3.86 2 2 0 35 229.323 5

Activity (Go SEA)

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