UCSF

ZINC42809689

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.60 0.81 -12.27 1 5 0 67 273.354 6
Hi High (pH 8-9.5) 1.60 1.56 -50.42 0 5 -1 70 272.346 6

Activity (Go SEA)

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