UCSF

ZINC39301258

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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) 3.97 11.96 -12.97 2 7 0 83 424.508 7
Lo Low (pH 4.5-6) 3.97 12.42 -46.85 3 7 1 84 425.516 7

Activity (Go SEA)

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