UCSF

ZINC13123675

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 25 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.55 11.6 -9.88 1 7 0 82 339.399 4
Mid Mid (pH 6-8) 2.73 11.56 -38.53 0 7 -1 83 338.391 4
Lo Low (pH 4.5-6) 2.73 12.25 -53.39 2 7 1 86 340.407 4

Activity (Go SEA)

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