UCSF

ZINC06314831

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 25 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) 1.37 -2.4 -16.83 1 6 0 79 378.475 6
Mid Mid (pH 6-8) 0.78 -2.45 -25.06 0 6 0 76 378.475 6

Activity (Go SEA)

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