UCSF

ZINC34948815

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 5.37 12.27 -13.45 1 6 0 54 459.59 9
Mid Mid (pH 6-8) 5.37 14.53 -46.28 2 6 1 55 460.598 9

Activity (Go SEA)

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