UCSF

ZINC20049048

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 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) 2.03 6.35 -99.09 4 4 2 50 259.438 10
Hi High (pH 8-9.5) 2.03 5.07 -38.49 3 4 1 46 258.43 10

Activity (Go SEA)

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