UCSF

ZINC48427712

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 16 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) -0.21 4.8 -40.12 1 5 1 43 231.316 5
Hi High (pH 8-9.5) -0.21 2.83 -11.24 0 5 0 42 230.308 5

Activity (Go SEA)

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