UCSF

ZINC44624790

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 15 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) -0.82 4.05 -53.78 3 5 0 88 216.281 7
Hi High (pH 8-9.5) -0.82 3.76 -41.05 2 5 -1 86 215.273 7

Activity (Go SEA)

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