UCSF

ZINC37034890

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 2.45 7.4 -112.26 4 3 2 41 290.382 6
Hi High (pH 8-9.5) 2.45 5.06 -50.51 3 3 1 40 289.374 6

Activity (Go SEA)

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