UCSF

ZINC37019345

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.49 -0.22 -48.76 3 6 1 77 240.283 7
Hi High (pH 8-9.5) 0.49 -1.65 -11.06 2 6 0 72 239.275 7

Activity (Go SEA)

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