UCSF

ZINC35358889

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 16 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) 0.14 2.46 -103.04 4 4 2 45 231.384 7
Hi High (pH 8-9.5) 0.14 0.21 -2.92 2 4 0 42 229.368 7
Mid Mid (pH 6-8) 0.14 2.97 -86.22 4 4 2 45 231.384 7
Mid Mid (pH 6-8) 0.14 0.65 -43.52 3 4 1 43 230.376 7

Activity (Go SEA)

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