UCSF

ZINC35744598

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.64 6.3 -12.74 2 5 0 69 369.49 5
Lo Low (pH 4.5-6) 2.64 8.59 -53.9 3 5 1 70 370.498 5

Activity (Go SEA)

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