UCSF

ZINC06983468

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2006 23 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) 2.96 9.61 -49.65 2 4 1 43 333.839 7
Hi High (pH 8-9.5) 2.96 7.14 -11.74 1 4 0 42 332.831 7

Activity (Go SEA)

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