UCSF

ZINC34989730

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 2.08 4.57 -43.63 3 4 1 62 250.318 3
Hi High (pH 8-9.5) 2.08 3.4 -53.87 1 4 -1 64 248.302 3
Hi High (pH 8-9.5) 2.08 2.39 -9.77 2 4 0 61 249.31 3
Mid Mid (pH 6-8) 2.08 5.58 -58.18 2 4 0 65 249.31 3

Activity (Go SEA)

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