UCSF

ZINC41669530

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 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) 5.64 9.46 -10.74 0 6 0 61 517.525 7
Lo Low (pH 4.5-6) 5.64 12.31 -55.61 1 6 1 62 518.533 7

Activity (Go SEA)

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