UCSF

ZINC41664320

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.44 12.45 -18.74 0 7 0 82 501.56 6
Mid Mid (pH 6-8) 5.44 15.27 -54.26 1 7 1 83 502.568 6

Activity (Go SEA)

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