UCSF

ZINC37334071

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) 2.67 9.61 -35.19 1 3 1 31 248.346 6
Hi High (pH 8-9.5) 2.67 7.38 -9.66 0 3 0 30 247.338 6

Activity (Go SEA)

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