UCSF

ZINC41584313

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 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) 3.33 6.37 -10.83 1 7 0 81 427.497 10
Hi High (pH 8-9.5) 3.33 5.61 -49.16 0 7 -1 84 426.489 10
Mid Mid (pH 6-8) 3.33 7.82 -35.74 1 7 0 85 427.497 10
Mid Mid (pH 6-8) 3.33 7.07 -41.06 2 7 1 83 428.505 10

Activity (Go SEA)

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