UCSF

ZINC49281857

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 18 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) 3.17 8.06 -39.62 2 3 1 29 262.402 3
Hi High (pH 8-9.5) 3.17 5.65 -5.82 1 3 0 28 261.394 3

Activity (Go SEA)

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