UCSF

ZINC41588160

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 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) 4.81 8.14 -8.8 0 6 0 55 462.59 5
Mid Mid (pH 6-8) 4.81 10.41 -47.8 1 6 1 56 463.598 5
Lo Low (pH 4.5-6) 4.81 11 -51.25 1 6 1 56 463.598 5

Activity (Go SEA)

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