UCSF

ZINC15953135

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 21 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) 0.52 11.03 -20.4 0 2 1 6 289.487 1
Hi High (pH 8-9.5) -2.73 11.62 -16.36 1 2 0 7 289.487 1

Activity (Go SEA)

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