UCSF

ZINC36922860

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 15 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) 0.44 3.34 -40.06 2 4 1 46 215.317 6
Hi High (pH 8-9.5) 0.44 2.17 -9.94 1 4 0 42 214.309 6

Activity (Go SEA)

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