UCSF

ZINC38633177

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 28 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) 2.93 8.53 -45.34 0 7 -1 85 395.464 7
Mid Mid (pH 6-8) 2.47 9.24 -15.35 1 7 0 82 396.472 7

Activity (Go SEA)

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