UCSF

ZINC37855448

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.54 -2.24 -47.81 4 6 1 78 260.358 8
Hi High (pH 8-9.5) -0.54 -3.6 -11.32 3 6 0 74 259.35 8
Mid Mid (pH 6-8) -0.54 0.02 -111.55 5 6 2 80 261.366 8

Activity (Go SEA)

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