UCSF

ZINC41514774

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 4.86 11.81 -46.25 2 6 1 73 446.523 7
Mid Mid (pH 6-8) 4.86 9.46 -16.47 1 6 0 72 445.515 7

Activity (Go SEA)

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