UCSF

ZINC37794707

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.23 2.94 -66.42 3 7 -1 122 277.256 6
Lo Low (pH 4.5-6) 0.23 1.37 -27.4 4 7 0 119 278.264 6

Activity (Go SEA)

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