UCSF

ZINC37826974

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 0.60 3.63 -36.72 2 4 1 40 238.355 2
Hi High (pH 8-9.5) 0.60 2.38 -6.45 1 4 0 36 237.347 2
Mid Mid (pH 6-8) 0.60 5.82 -90.78 3 4 2 41 239.363 2

Activity (Go SEA)

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