UCSF

ZINC36642892

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 32 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) 4.59 10.32 -41.87 1 7 1 73 450.588 8
Hi High (pH 8-9.5) 4.59 7.19 -15.95 0 7 0 71 449.58 8

Activity (Go SEA)

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