UCSF

ZINC35687194

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 21 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) 0.01 4.01 -49.3 2 7 0 90 295.339 7
Hi High (pH 8-9.5) 0.01 1.72 -50.78 1 7 -1 89 294.331 7
Mid Mid (pH 6-8) 0.01 3.92 -66.6 2 7 0 90 295.339 7

Activity (Go SEA)

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