UCSF

ZINC36232323

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 0.68 4.51 -45.24 3 4 1 53 275.372 3
Hi High (pH 8-9.5) 0.68 4.09 -5.63 2 4 0 52 274.364 3
Lo Low (pH 4.5-6) 0.68 6.11 -132.21 4 4 2 54 276.38 3

Activity (Go SEA)

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