UCSF

ZINC41587201

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 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) 6.58 12.86 -8.66 0 4 0 43 439.555 4
Lo Low (pH 4.5-6) 6.58 15.74 -49.5 1 4 1 44 440.563 4

Activity (Go SEA)

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