UCSF

ZINC06093084

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.40 2.38 -28.16 0 3 -1 48 258.628 3
Lo Low (pH 4.5-6) 5.40 2.21 -6.34 1 3 0 46 259.636 3

Activity (Go SEA)

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