UCSF

ZINC06484097

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 22 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) 2.26 4.6 -40.76 1 5 -1 78 311.342 2
Lo Low (pH 4.5-6) 1.80 5.68 -11.32 2 5 0 75 312.35 2
Lo Low (pH 4.5-6) 2.26 4.6 -40.98 1 5 -1 78 311.342 2

Activity (Go SEA)

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