UCSF

ZINC41649289

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

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) 5.84 11.62 -11.15 0 5 0 52 453.538 6
Lo Low (pH 4.5-6) 5.84 14.47 -53.61 1 5 1 53 454.546 6

Activity (Go SEA)

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