UCSF

ZINC06687548

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 28 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) 4.30 12.53 -44.87 2 4 1 47 377.508 8
Hi High (pH 8-9.5) 4.30 10.37 -9.13 1 4 0 45 376.5 8

Activity (Go SEA)

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