UCSF

ZINC36826753

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 3.33 6.23 -45.13 3 2 1 31 273.444 3
Hi High (pH 8-9.5) 3.33 8.21 -27.87 3 2 1 30 273.444 3

Activity (Go SEA)

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