UCSF

ZINC48261486

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 32 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) 2.94 11.8 -47.3 2 7 1 64 438.596 7
Lo Low (pH 4.5-6) 2.94 13.36 -131.09 3 7 2 65 439.604 7

Activity (Go SEA)

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