UCSF

ZINC59821569

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 34 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) 2.46 4.48 -66.5 4 8 0 102 475.606 7
Hi High (pH 8-9.5) 2.46 3.03 -8.02 3 8 0 100 474.598 7

Activity (Go SEA)

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