UCSF

ZINC59457247

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 38 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) 8.80 19.48 -171.59 5 4 3 41 531.938 16
Hi High (pH 8-9.5) 8.80 18.24 -91.98 4 4 2 40 530.93 16

Activity (Go SEA)

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