UCSF

ZINC35500583

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 1.89 0.92 -76.08 2 5 0 79 244.25 3
Hi High (pH 8-9.5) 1.89 -0.22 -48.96 1 5 -1 74 243.242 3
Hi High (pH 8-9.5) 1.44 2.4 -9.37 2 5 0 71 244.25 3
Mid Mid (pH 6-8) 1.44 3.54 -55.69 3 5 1 76 245.258 3

Activity (Go SEA)

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