UCSF

ZINC34891414

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 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) -2.75 0.97 -85.54 5 7 0 126 279.296 6
Hi High (pH 8-9.5) -2.75 0.55 -47.53 4 7 -1 124 278.288 6

Activity (Go SEA)

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