UCSF

ZINC35892930

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 27 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) 3.96 11.11 -6.86 0 4 0 32 378.545 3
Lo Low (pH 4.5-6) 3.96 13.38 -47.61 1 4 1 33 379.553 3

Activity (Go SEA)

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