UCSF

ZINC42458850

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 11 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) -1.51 -4.11 -42.89 4 4 1 60 163.241 6
Hi High (pH 8-9.5) -1.51 -2.08 -33.48 4 4 1 60 163.241 6
Mid Mid (pH 6-8) -1.51 -1.16 -46.86 4 4 1 64 163.241 6

Activity (Go SEA)

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