UCSF

ZINC43700134

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 13 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) -3.44 0.16 -80.97 5 5 1 88 188.251 3
Hi High (pH 8-9.5) -3.44 -0.24 -68.65 4 5 0 86 187.243 3

Activity (Go SEA)

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