UCSF

ZINC31934619

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) 3.02 7.14 -55.71 3 4 1 62 292.428 5
Hi High (pH 8-9.5) 3.48 6.12 -44.69 2 4 0 65 291.42 5

Activity (Go SEA)

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