UCSF

ZINC38021971

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 15 No

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) -1.90 0 -40.27 1 6 -1 90 213.213 5
Hi High (pH 8-9.5) -1.90 2.22 -38.35 2 6 0 91 214.221 5
Hi High (pH 8-9.5) -1.90 2.2 -31.97 2 6 0 91 214.221 5
Mid Mid (pH 6-8) -1.71 -0.34 -50.36 1 6 -1 97 213.213 5

Activity (Go SEA)

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