UCSF

ZINC37855444

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) -1.04 -3.01 -47.52 4 6 1 78 246.331 7
Hi High (pH 8-9.5) -1.04 -4.36 -11.39 3 6 0 74 245.323 7
Mid Mid (pH 6-8) -1.04 -0.75 -111.05 5 6 2 80 247.339 7

Activity (Go SEA)

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