UCSF

ZINC40455486

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 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) 2.36 6.36 -16.01 2 6 0 74 358.467 5
Lo Low (pH 4.5-6) 2.36 6.69 -42.79 3 6 1 76 359.475 5

Activity (Go SEA)

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