UCSF

ZINC06350097

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2006 18 No

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) 1.18 7.91 -43.17 8 6 0 104 250.35 7
Hi High (pH 8-9.5) 1.18 7.74 -7.42 6 6 0 101 248.334 7
Mid Mid (pH 6-8) 1.18 7.82 -22.9 7 6 0 102 249.342 7
Mid Mid (pH 6-8) 1.18 7.66 -7.66 7 6 0 103 249.342 7

Activity (Go SEA)

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