UCSF

ZINC41586452

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 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) 3.84 9.99 -45.82 2 6 1 81 414.503 6
Hi High (pH 8-9.5) 3.84 8.53 -44.28 0 6 -1 83 412.487 6
Mid Mid (pH 6-8) 3.84 10.74 -29.91 1 6 0 84 413.495 6
Mid Mid (pH 6-8) 3.84 7.76 -10.11 1 6 0 80 413.495 6

Activity (Go SEA)

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