UCSF

ZINC20522469

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 26 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) 4.46 12.03 -90.26 2 3 2 12 357.586 4
Hi High (pH 8-9.5) 4.46 9.72 -36.61 1 3 1 11 356.578 4

Activity (Go SEA)

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