UCSF

ZINC37040862

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -1.00 -4.05 -52.28 6 7 1 126 274.322 4
Hi High (pH 8-9.5) -1.00 -4.36 -17.89 5 7 0 125 273.314 4

Activity (Go SEA)

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