UCSF

ZINC13616214

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 31 No

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) 3.63 8.88 -110.38 0 8 -2 128 414.373 4
Lo Low (pH 4.5-6) 3.17 11.34 -56.82 1 8 -1 125 415.381 4

Activity (Go SEA)

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