UCSF

ZINC28295670

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 31 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) 0.26 0.97 -65.63 6 9 1 134 432.497 12
Hi High (pH 8-9.5) 0.26 -0.56 -24.98 5 9 0 129 431.489 12

Activity (Go SEA)

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