UCSF

ZINC42699011

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 25 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) 3.85 10.37 -45.08 2 4 1 43 345.438 9
Hi High (pH 8-9.5) 3.85 7.89 -10.01 1 4 0 42 344.43 9

Activity (Go SEA)

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