UCSF

ZINC36872254

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) -0.65 3.58 -35.64 4 5 1 74 260.317 2
Hi High (pH 8-9.5) -0.65 3.22 -11.61 3 5 0 73 259.309 2
Mid Mid (pH 6-8) -0.65 3.56 -57.76 4 5 1 75 260.317 2

Activity (Go SEA)

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