UCSF

ZINC41650337

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) 5.15 9.94 -9.73 0 6 0 61 520.379 3
Lo Low (pH 4.5-6) 5.15 12.8 -48.17 1 6 1 62 521.387 3

Activity (Go SEA)

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