UCSF

ZINC37794550

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) -0.31 2.29 -57.21 3 7 -1 122 265.245 7
Lo Low (pH 4.5-6) -0.31 0.31 -20.37 4 7 0 119 266.253 7

Activity (Go SEA)

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