UCSF

ZINC41668682

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 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) 5.20 8.98 -9.59 0 5 0 56 472.85 4
Mid Mid (pH 6-8) 5.20 9.71 -41.2 1 5 1 57 473.858 4

Activity (Go SEA)

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