UCSF

ZINC41513095

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 3.09 6.41 -11.33 1 8 0 109 396.399 4
Hi High (pH 8-9.5) 3.09 6.99 -39.76 0 8 -1 112 395.391 4
Lo Low (pH 4.5-6) 3.09 8.71 -55.93 2 8 1 110 397.407 4

Activity (Go SEA)

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