UCSF

ZINC35495044

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 21 Yes

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) 2.29 7.3 -54.91 1 6 -1 91 282.279 5
Lo Low (pH 4.5-6) 2.29 7.74 -46.49 2 6 0 92 283.287 5

Activity (Go SEA)

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