UCSF

ZINC31963745

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 1.22 4.32 -62.27 4 6 1 88 334.421 5
Hi High (pH 8-9.5) 1.41 3.25 -59.33 3 6 0 94 333.413 5

Activity (Go SEA)

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