UCSF

ZINC06707450

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 27 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) 3.95 9.46 -16.28 0 5 0 52 366.461 5
Lo Low (pH 4.5-6) 3.95 9.84 -33.28 1 5 1 53 367.469 5

Activity (Go SEA)

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