UCSF

ZINC04560348

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 18 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) 0.04 2.7 -18.92 1 8 0 98 285.358 5
Hi High (pH 8-9.5) 0.23 1.49 -45.57 0 8 -1 105 284.35 5

Activity (Go SEA)

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