UCSF

ZINC69416499

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2011 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) 2.59 7.43 -30.93 1 2 1 17 225.381 3
Hi High (pH 8-9.5) 2.59 5.2 -4.47 0 2 0 16 224.373 3

Activity (Go SEA)

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