UCSF

ZINC41194221

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 26 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) 2.01 6.19 -10.26 2 6 0 74 348.406 6
Hi High (pH 8-9.5) 2.20 5.44 -48.36 1 6 -1 81 347.398 6
Lo Low (pH 4.5-6) 2.01 6.66 -41.22 3 6 1 76 349.414 6

Activity (Go SEA)

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