UCSF

ZINC42442602

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) -0.72 -0.96 -40.12 3 5 1 59 233.332 7
Hi High (pH 8-9.5) -0.72 -1.16 -3.85 2 5 0 57 232.324 7
Mid Mid (pH 6-8) -0.72 0.32 -107.69 4 5 2 60 234.34 7

Activity (Go SEA)

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