UCSF

ZINC05275015

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 30 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) 3.98 10.74 -13.77 2 7 0 85 414.391 4
Lo Low (pH 4.5-6) 4.16 11.02 -37.41 3 7 1 90 415.399 4

Activity (Go SEA)

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