UCSF

ZINC34639138

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 1.41 7.36 -63.7 0 5 -1 75 247.205 2
Lo Low (pH 4.5-6) 1.41 6.55 -31.71 1 5 0 78 248.213 2

Activity (Go SEA)

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