UCSF

ZINC06689030

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 31 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) 2.50 12.57 -12.7 0 5 0 51 418.447 7
Mid Mid (pH 6-8) 2.50 13.2 -39.93 1 5 1 52 419.455 7
Lo Low (pH 4.5-6) 2.50 12.85 -43.6 1 5 1 52 419.455 7
Lo Low (pH 4.5-6) 2.50 13.48 -94.07 2 5 2 54 420.463 7

Activity (Go SEA)

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