UCSF

ZINC43403870

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 1.29 1.7 -53.58 3 6 1 89 314.163 3
Hi High (pH 8-9.5) 1.29 1.46 -12.48 2 6 0 87 313.155 3

Activity (Go SEA)

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