UCSF

ZINC12381409

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 33 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) 5.55 -2 -10.94 2 5 0 71 482.049 6
Lo Low (pH 4.5-6) 5.55 -1.89 -46.24 3 5 1 72 483.057 6

Activity (Go SEA)

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