UCSF

ZINC41650977

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 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) 5.80 12.85 -14.63 0 6 0 57 494.591 6
Lo Low (pH 4.5-6) 5.80 15.69 -61.44 1 6 1 58 495.599 6

Activity (Go SEA)

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