UCSF

ZINC28304239

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 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) 0.94 3.74 -12.05 1 5 0 60 309.167 3
Lo Low (pH 4.5-6) 0.94 4.18 -43.6 2 5 1 61 310.175 3

Activity (Go SEA)

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