UCSF

ZINC41585092

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) 4.95 11.41 -50.47 2 6 1 67 457.55 5
Mid Mid (pH 6-8) 4.95 9.22 -9.93 1 6 0 66 456.542 5
Mid Mid (pH 6-8) 4.95 9.98 -43.34 0 6 -1 69 455.534 5
Mid Mid (pH 6-8) 4.95 12.17 -30.78 1 6 0 70 456.542 5

Activity (Go SEA)

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