UCSF

ZINC37033293

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.02 4.34 -47.31 3 6 1 76 274.348 2
Hi High (pH 8-9.5) 1.02 3.05 -12.13 2 6 0 72 273.34 2

Activity (Go SEA)

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