UCSF

ZINC31771568

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 19 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) -3.55 1.04 -107.41 9 8 1 163 274.345 8
Hi High (pH 8-9.5) -3.55 0.86 -76.38 8 8 0 161 273.337 8

Activity (Go SEA)

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