UCSF

ZINC36877236

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 1.52 4.8 -48.33 3 3 1 45 224.234 3
Hi High (pH 8-9.5) 1.52 3.39 -10.11 2 3 0 41 223.226 3
Hi High (pH 8-9.5) 1.52 3.37 -7.22 2 3 0 41 223.226 3

Activity (Go SEA)

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