UCSF

ZINC37468068

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 3.27 11.01 -112.26 3 2 2 21 274.452 6
Hi High (pH 8-9.5) 3.27 8.55 -35.25 2 2 1 20 273.444 6
Hi High (pH 8-9.5) 3.27 11.29 -30.61 2 2 1 16 273.444 6

Activity (Go SEA)

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