UCSF

ZINC04146310

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 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) 3.15 1.11 -12.24 1 5 0 60 359.429 5
Lo Low (pH 4.5-6) 3.15 1.22 -48.43 2 5 1 61 360.437 5

Activity (Go SEA)

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