UCSF

ZINC37980394

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 21 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) 2.04 6.99 -10.46 0 4 0 46 322.195 2
Lo Low (pH 4.5-6) 2.04 7.45 -37.58 1 4 1 47 323.203 2

Activity (Go SEA)

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