UCSF

ZINC06733568

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.41 5.82 -41.17 1 5 0 70 269.304 3
Lo Low (pH 4.5-6) 1.41 6.1 -78.9 2 5 1 72 270.312 3

Activity (Go SEA)

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