UCSF

ZINC31894821

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 3.77 5.49 -50.15 3 3 1 50 265.402 7
Hi High (pH 8-9.5) 3.77 5.1 -6.98 2 3 0 48 264.394 7

Activity (Go SEA)

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