UCSF

ZINC42458694

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) -0.40 -0.9 -42.26 3 4 1 49 203.306 6
Hi High (pH 8-9.5) -0.40 -0.98 -3.99 2 4 0 48 202.298 6
Mid Mid (pH 6-8) -0.39 0.33 -31.42 3 4 1 49 203.306 6

Activity (Go SEA)

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