UCSF

ZINC06689370

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 21 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) 1.93 9.64 -11.07 0 4 0 38 285.391 5
Mid Mid (pH 6-8) 1.93 9.82 -29.56 1 4 1 39 286.399 5

Activity (Go SEA)

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