UCSF

ZINC40105187

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 28 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) 2.30 4.75 -17.71 3 8 0 107 384.436 6
Lo Low (pH 4.5-6) 2.30 5.08 -36.84 4 8 1 108 385.444 6

Activity (Go SEA)

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