UCSF

ZINC34975225

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 3.23 6.17 -9.15 2 3 0 52 269.272 3
Lo Low (pH 4.5-6) 3.23 5.99 -36.25 3 3 1 54 270.28 3

Activity (Go SEA)

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