UCSF

ZINC41052120

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 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) 2.01 2.07 -44.11 3 4 1 67 198.29 6
Hi High (pH 8-9.5) 2.01 1.67 -6.21 2 4 0 65 197.282 6

Activity (Go SEA)

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