UCSF

ZINC29215886

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 23 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) 0.31 2.48 -65.5 4 6 1 88 316.381 9
Hi High (pH 8-9.5) 0.31 0.98 -16.32 3 6 0 83 315.373 9

Activity (Go SEA)

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