UCSF

ZINC41663761

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) 5.91 11.69 -12.35 0 6 0 73 463.917 2
Mid Mid (pH 6-8) 5.91 14.68 -43.84 1 6 1 74 464.925 2

Activity (Go SEA)

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