UCSF

ZINC36876450

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.68 6.3 -45.86 3 3 1 45 246.309 2
Lo Low (pH 4.5-6) 1.68 6.74 -107.56 4 3 2 47 247.317 2

Activity (Go SEA)

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