UCSF

ZINC35802501

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 34 No

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) 4.80 10.16 -11.62 2 7 0 79 487.938 7
Lo Low (pH 4.5-6) 4.80 12.41 -53.41 3 7 1 81 488.946 7

Activity (Go SEA)

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