UCSF

ZINC36305223

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 14 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) -0.48 -0.42 -45.64 3 4 1 49 201.29 1
Hi High (pH 8-9.5) -0.48 -0.8 -3.01 2 4 0 48 200.282 1
Lo Low (pH 4.5-6) -0.48 1.38 -118.41 4 4 2 51 202.298 1

Activity (Go SEA)

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