UCSF

ZINC41666112

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 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) 3.75 10 -15.22 0 6 0 69 411.429 6
Lo Low (pH 4.5-6) 3.75 12.85 -55.32 1 6 1 70 412.437 6

Activity (Go SEA)

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