UCSF

ZINC23293378

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 27 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) 0.70 3.34 -17.14 1 7 0 73 376.432 5
Lo Low (pH 4.5-6) 0.70 8.12 -140.78 3 7 2 75 378.448 5
Lo Low (pH 4.5-6) 0.70 5.88 -56.57 2 7 1 74 377.44 5

Activity (Go SEA)

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