UCSF

ZINC06089033

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 34 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) 3.37 3.75 -54.28 3 12 -1 192 499.51 7
Lo Low (pH 4.5-6) 3.37 4.28 -23.38 4 12 0 190 500.518 7

Activity (Go SEA)

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