UCSF

ZINC35522209

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 32 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) 4.65 15.52 -51.14 1 4 1 38 439.526 11
Hi High (pH 8-9.5) 4.65 13.52 -17.98 0 4 0 37 438.518 11

Activity (Go SEA)

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