UCSF

ZINC39105301

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 15 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) 2.42 7.76 -36.42 1 2 1 8 205.325 2
Hi High (pH 8-9.5) 2.42 5.32 -2.61 0 2 0 6 204.317 2

Activity (Go SEA)

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