UCSF

ZINC34948655

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 2.75 9.54 -15.55 1 7 0 63 441.572 9
Mid Mid (pH 6-8) 2.75 11.8 -50.76 2 7 1 64 442.58 9

Activity (Go SEA)

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