UCSF

ZINC45374292

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 29 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) -2.76 -0.61 -63.25 8 11 0 203 405.411 8
Hi High (pH 8-9.5) -2.76 -1.26 -64.41 7 11 -1 202 404.403 8

Activity (Go SEA)

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