UCSF

ZINC35221981

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 0.54 0.51 -5.47 3 6 0 91 198.226 4
Hi High (pH 8-9.5) 0.99 -1.16 -36.79 2 6 -1 94 197.218 4

Activity (Go SEA)

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