UCSF

ZINC31945202

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 3.64 8.69 -72.11 1 4 0 57 314.41 8
Hi High (pH 8-9.5) 3.64 7.28 -61.23 0 4 -1 56 313.402 8

Activity (Go SEA)

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