UCSF

ZINC39553857

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 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) 2.17 8.41 -24.12 1 8 0 99 385.449 4
Hi High (pH 8-9.5) 2.24 7.07 -50.71 0 8 -1 105 384.441 4

Activity (Go SEA)

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