UCSF

ZINC35744422

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 30 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) 4.12 11.02 -58.82 3 5 1 70 426.606 9
Hi High (pH 8-9.5) 4.58 8.42 -52.58 2 5 0 74 425.598 9

Activity (Go SEA)

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