UCSF

ZINC36794361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.86 5.29 -36.6 2 4 1 46 287.33 6
Hi High (pH 8-9.5) 1.86 4.35 -9.62 1 4 0 42 286.322 6

Activity (Go SEA)

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