UCSF

ZINC20586963

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 21 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) 3.71 6.09 -36.4 3 4 1 55 353.236 5
Hi High (pH 8-9.5) 3.71 5.74 -6.42 2 4 0 54 352.228 5

Activity (Go SEA)

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