UCSF

ZINC31946848

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 0.02 2.32 -96.4 6 6 2 90 300.428 7
Hi High (pH 8-9.5) 0.02 -0.13 -57.74 5 6 1 89 299.42 7

Activity (Go SEA)

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