UCSF

ZINC36991980

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 5.92 10.94 -38.89 2 1 1 17 308.898 4
Hi High (pH 8-9.5) 5.92 9.75 -2.25 1 1 0 12 307.89 4

Activity (Go SEA)

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