UCSF

ZINC41656922

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

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) 3.03 5.18 -10.9 0 7 0 64 436.508 6
Mid Mid (pH 6-8) 3.03 7.44 -47.39 1 7 1 66 437.516 6

Activity (Go SEA)

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