UCSF

ZINC31484008

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 14 No

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) -0.18 2.29 -50.23 5 8 1 137 198.162 3
Hi High (pH 8-9.5) 0.48 2.21 -29.86 4 8 0 133 197.154 4

Activity (Go SEA)

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